2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene

C41H74O3 — CID 157051879

IUPAC2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene
SMILESC=C(C)C1CCC(C)(O)CC1.C=CC(C)(C)CCC=C(C)C.CC(C)=C1CCC(C)(O)CC1.CC1=CCC(C(C)(C)O)CC1
InChIInChI=1S/C11H20.3C10H18O/c1-6-11(4,5)9-7-8-10(2)3;1-8-4-6-9(7-5-8)10(2,3)11;2*1-8(2)9-4-6-10(3,11)7-5-9/h6,8H,1,7,9H2,2-5H3;4,9,11H,5-7H2,1-3H3;11H,4-7H2,1-3H3;9,11H,1,4-7H2,2-3H3
InChIKeyAAHNFEVVCWLTBD-UHFFFAOYSA-N
MW615.04 g/mol
LogP11.60
Rot. Bonds6

About 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene (PubChem CID 157051879) has the molecular formula C41H74O3 and a molecular weight of 615.04 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene
PubChem CID157051879
Molecular FormulaC41H74O3
Molecular Weight615.04 g/mol
Exact Mass614.56
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene
SMILESC=C(C)C1CCC(C)(O)CC1.C=CC(C)(C)CCC=C(C)C.CC(C)=C1CCC(C)(O)CC1.CC1=CCC(C(C)(C)O)CC1
InChIInChI=1S/C11H20.3C10H18O/c1-6-11(4,5)9-7-8-10(2)3;1-8-4-6-9(7-5-8)10(2,3)11;2*1-8(2)9-4-6-10(3,11)7-5-9/h6,8H,1,7,9H2,2-5H3;4,9,11H,5-7H2,1-3H3;11H,4-7H2,1-3H3;9,11H,1,4-7H2,2-3H3
InChIKeyAAHNFEVVCWLTBD-UHFFFAOYSA-N
XLogP11.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.04
LogP ≤ 511.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene (CID 157051879) is 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene is C=C(C)C1CCC(C)(O)CC1.C=CC(C)(C)CCC=C(C)C.CC(C)=C1CCC(C)(O)CC1.CC1=CCC(C(C)(C)O)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene?
The InChIKey is AAHNFEVVCWLTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.3C10H18O/c1-6-11(4,5)9-7-8-10(2)3;1-8-4-6-9(7-5-8)10(2,3)11;2*1-8(2)9-4-6-10(3,11)7-5-9/h6,8H,1,7,9H2,2-5H3;4,9,11H,5-7H2,1-3H3;11H,4-7H2,1-3H3;9,11H,1,4-7H2,2-3H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene?
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene has a molecular weight of 615.04 g/mol, XLogP of 11.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylidenecyclohexan-1-ol;1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol;3,3,7-trimethylocta-1,6-diene is sourced from PubChem (CID 157051879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).