2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane

C14H26 — CID 91082201

IUPAC2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane
SMILESCC1C(C)C(C)C2C(CC2(C)C)C1C
InChIInChI=1S/C14H26/c1-8-9(2)11(4)13-12(10(8)3)7-14(13,5)6/h8-13H,7H2,1-6H3
InChIKeyOAICXUJYVLZYRK-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.21
Rot. Bonds

About 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane

2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane (PubChem CID 91082201) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane.

Molecular Properties

Compound Name2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane
PubChem CID91082201
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane
SMILESCC1C(C)C(C)C2C(CC2(C)C)C1C
InChIInChI=1S/C14H26/c1-8-9(2)11(4)13-12(10(8)3)7-14(13,5)6/h8-13H,7H2,1-6H3
InChIKeyOAICXUJYVLZYRK-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol
CID 54495644
4,4,10-trimethyltricyclo[5.2.1.02,6]decane
CID 142502151
1,4-dimethyltricyclo[3.2.1.03,8]octane
CID 163690199
(2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269078
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
(1R,3aR,4S,6S,7aR)-3,3,6-trimethyl-1,2,3a,4,5,6,7,7a-octahydroindene-1,4-diol
CID 10559883
[(2S,3R)-2,3,4,4-tetramethylcyclopentyl]methanol
CID 130763803
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 59883784

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane?
The IUPAC name of 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane (CID 91082201) is 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane.
What is the SMILES notation for 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane?
The canonical SMILES for 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane is CC1C(C)C(C)C2C(CC2(C)C)C1C.
What is the InChIKey of 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane?
The InChIKey is OAICXUJYVLZYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-8-9(2)11(4)13-12(10(8)3)7-14(13,5)6/h8-13H,7H2,1-6H3.
What are the key properties of 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane?
2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane has a molecular weight of 194.36 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane is sourced from PubChem (CID 91082201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).