(1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol

C15H22O2 — CID 88661190

IUPAC(1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(C#C/C(C)=C/CO)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C15H22O2/c1-11(7-8-16)5-6-14-12(2)9-13(17)10-15(14,3)4/h7,13,16-17H,8-10H2,1-4H3/b11-7+/t13-/m1/s1
InChIKeyOHYZJEHEHYMLGM-SVTZGKHISA-N
MW234.34 g/mol
LogP2.43
Rot. Bonds1

About (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol

(1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol (PubChem CID 88661190) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
PubChem CID88661190
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(C#C/C(C)=C/CO)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C15H22O2/c1-11(7-8-16)5-6-14-12(2)9-13(17)10-15(14,3)4/h7,13,16-17H,8-10H2,1-4H3/b11-7+/t13-/m1/s1
InChIKeyOHYZJEHEHYMLGM-SVTZGKHISA-N
XLogP2.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-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 (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol?
The IUPAC name of (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol (CID 88661190) is (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol?
The canonical SMILES for (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol is CC1=C(C#C/C(C)=C/CO)C(C)(C)C[C@H](O)C1.
What is the InChIKey of (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol?
The InChIKey is OHYZJEHEHYMLGM-SVTZGKHISA-N. The full InChI is InChI=1S/C15H22O2/c1-11(7-8-16)5-6-14-12(2)9-13(17)10-15(14,3)4/h7,13,16-17H,8-10H2,1-4H3/b11-7+/t13-/m1/s1.
What are the key properties of (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol?
(1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 88661190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).