(1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol

C15H24O2 — CID 129320497

IUPAC(1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol
SMILESCC1=CCCC(C)(C)[C@@]1(O)/C=C/C(C)=C\CO
InChIInChI=1S/C15H24O2/c1-12(8-11-16)7-10-15(17)13(2)6-5-9-14(15,3)4/h6-8,10,16-17H,5,9,11H2,1-4H3/b10-7+,12-8-/t15-/m1/s1
InChIKeyBYWCEPMOTPVMGS-BPAKEXOVSA-N
MW236.35 g/mol
LogP2.98
Rot. Bonds3

About (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol

(1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol (PubChem CID 129320497) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol
PubChem CID129320497
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol
SMILESCC1=CCCC(C)(C)[C@@]1(O)/C=C/C(C)=C\CO
InChIInChI=1S/C15H24O2/c1-12(8-11-16)7-10-15(17)13(2)6-5-9-14(15,3)4/h6-8,10,16-17H,5,9,11H2,1-4H3/b10-7+,12-8-/t15-/m1/s1
InChIKeyBYWCEPMOTPVMGS-BPAKEXOVSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-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 (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol?
The IUPAC name of (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol (CID 129320497) is (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol?
The canonical SMILES for (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol is CC1=CCCC(C)(C)[C@@]1(O)/C=C/C(C)=C\CO.
What is the InChIKey of (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol?
The InChIKey is BYWCEPMOTPVMGS-BPAKEXOVSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(8-11-16)7-10-15(17)13(2)6-5-9-14(15,3)4/h6-8,10,16-17H,5,9,11H2,1-4H3/b10-7+,12-8-/t15-/m1/s1.
What are the key properties of (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol?
(1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol has a molecular weight of 236.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 129320497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).