Structure Database (LMSD)

Common Name
Carane skeleton
Systematic Name
3,7,7-Trimethylbicyclo-[4.1.0]heptane
Synonyms
LM ID
LMPR0102120028
Status
Active


Classification

String Representations

InChiKey (Click to copy)
BWRHOYDPVJPXMF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
SMILES (Click to copy)
C1C(C)CC2C(C)(C)C2C1

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 156.84
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.08
Molar Refractivity 43.78

Admin

Created at
-
Updated at
-