4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol

C13H20O — CID 87111855

IUPAC4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol
SMILESC=C=C1CC2CC(CC1(C)O)C2(C)C
InChIInChI=1S/C13H20O/c1-5-9-6-10-7-11(12(10,2)3)8-13(9,4)14/h10-11,14H,1,6-8H2,2-4H3
InChIKeyIJSHVPJCTMZELM-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.90
Rot. Bonds

About 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol

4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol (PubChem CID 87111855) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol.

Molecular Properties

Compound Name4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol
PubChem CID87111855
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol
SMILESC=C=C1CC2CC(CC1(C)O)C2(C)C
InChIInChI=1S/C13H20O/c1-5-9-6-10-7-11(12(10,2)3)8-13(9,4)14/h10-11,14H,1,6-8H2,2-4H3
InChIKeyIJSHVPJCTMZELM-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol?
The IUPAC name of 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol (CID 87111855) is 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol.
What is the SMILES notation for 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol?
The canonical SMILES for 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol is C=C=C1CC2CC(CC1(C)O)C2(C)C.
What is the InChIKey of 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol?
The InChIKey is IJSHVPJCTMZELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-9-6-10-7-11(12(10,2)3)8-13(9,4)14/h10-11,14H,1,6-8H2,2-4H3.
What are the key properties of 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol?
4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol has a molecular weight of 192.30 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-3,7,7-trimethylbicyclo[4.1.1]octan-3-ol is sourced from PubChem (CID 87111855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).