4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol

C10H16O — CID 6428927

IUPAC4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol
SMILESCC1=CCC2(O)CC1C2(C)C
InChIInChI=1S/C10H16O/c1-7-4-5-10(11)6-8(7)9(10,2)3/h4,8,11H,5-6H2,1-3H3
InChIKeyLKGUYHHEOJFHPV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds

About 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol

4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol (PubChem CID 6428927) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol.

Molecular Properties

Compound Name4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol
PubChem CID6428927
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol
SMILESCC1=CCC2(O)CC1C2(C)C
InChIInChI=1S/C10H16O/c1-7-4-5-10(11)6-8(7)9(10,2)3/h4,8,11H,5-6H2,1-3H3
InChIKeyLKGUYHHEOJFHPV-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol?
The IUPAC name of 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol (CID 6428927) is 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol.
What is the SMILES notation for 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol?
The canonical SMILES for 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol is CC1=CCC2(O)CC1C2(C)C.
What is the InChIKey of 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol?
The InChIKey is LKGUYHHEOJFHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-4-5-10(11)6-8(7)9(10,2)3/h4,8,11H,5-6H2,1-3H3.
What are the key properties of 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol?
4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-1-ol is sourced from PubChem (CID 6428927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).