3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol

C16H24O — CID 54384675

IUPAC3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol
SMILESCC/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C
InChIInChI=1S/C16H24O/c1-6-7-12(2)8-9-15-13(3)10-14(17)11-16(15,4)5/h7,14,17H,6,10-11H2,1-5H3/b12-7+
InChIKeyVCJSHPQTCSAMOG-KPKJPENVSA-N
MW232.37 g/mol
LogP3.84
Rot. Bonds1

About 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol

3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol (PubChem CID 54384675) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol
PubChem CID54384675
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol
SMILESCC/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C
InChIInChI=1S/C16H24O/c1-6-7-12(2)8-9-15-13(3)10-14(17)11-16(15,4)5/h7,14,17H,6,10-11H2,1-5H3/b12-7+
InChIKeyVCJSHPQTCSAMOG-KPKJPENVSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol?
The IUPAC name of 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol (CID 54384675) is 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol.
What is the SMILES notation for 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol?
The canonical SMILES for 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol is CC/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C.
What is the InChIKey of 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol?
The InChIKey is VCJSHPQTCSAMOG-KPKJPENVSA-N. The full InChI is InChI=1S/C16H24O/c1-6-7-12(2)8-9-15-13(3)10-14(17)11-16(15,4)5/h7,14,17H,6,10-11H2,1-5H3/b12-7+.
What are the key properties of 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol?
3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 54384675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).