1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol

C15H24O2 — CID 15285866

IUPAC1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol
SMILESC/C(C#CC1(O)C(C)CCCC1(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/h8,13,16-17H,5-6,9,11H2,1-4H3/b12-8+
InChIKeyNWLKOIIRSRFDLJ-XYOKQWHBSA-N
MW236.35 g/mol
LogP2.51
Rot. Bonds1

About 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol

1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol (PubChem CID 15285866) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol
PubChem CID15285866
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol
SMILESC/C(C#CC1(O)C(C)CCCC1(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/h8,13,16-17H,5-6,9,11H2,1-4H3/b12-8+
InChIKeyNWLKOIIRSRFDLJ-XYOKQWHBSA-N
XLogP2.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol?
The IUPAC name of 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol (CID 15285866) is 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol is C/C(C#CC1(O)C(C)CCCC1(C)C)=C\CO.
What is the InChIKey of 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol?
The InChIKey is NWLKOIIRSRFDLJ-XYOKQWHBSA-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/h8,13,16-17H,5-6,9,11H2,1-4H3/b12-8+.
What are the key properties of 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol?
1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexan-1-ol is sourced from PubChem (CID 15285866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).