5-methylhex-4-en-2-yn-1-ol

C7H10O — CID 10866279

IUPAC5-methylhex-4-en-2-yn-1-ol
SMILESCC(C)=CC#CCO
InChIInChI=1S/C7H10O/c1-7(2)5-3-4-6-8/h5,8H,6H2,1-2H3
InChIKeyQEZPDQHMLHCNJE-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.95
Rot. Bonds

About 5-methylhex-4-en-2-yn-1-ol

5-methylhex-4-en-2-yn-1-ol (PubChem CID 10866279) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-methylhex-4-en-2-yn-1-ol.

Molecular Properties

Compound Name5-methylhex-4-en-2-yn-1-ol
PubChem CID10866279
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name5-methylhex-4-en-2-yn-1-ol
SMILESCC(C)=CC#CCO
InChIInChI=1S/C7H10O/c1-7(2)5-3-4-6-8/h5,8H,6H2,1-2H3
InChIKeyQEZPDQHMLHCNJE-UHFFFAOYSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-4-penten-2-yn-1-ol
CID 10887835
Isobutylene ethanol
CID 18987856
Methylvinylethynylcarbinol
CID 53784322
Dimethylvinylethynylmethyl hydroperoxide
CID 129819173
(E)-hex-4-en-2-yn-1-ol
CID 10996965
(4Z)-4-Hexen-2-yn-1-ol
CID 12567908
(E)-4-methylhex-4-en-2-yn-1-ol
CID 22741647
Cyclopropenylethynylcarbinol
CID 129810728
Hepta-4,5-dien-2-yn-1-ol
CID 130122060
(Z)-2-methylhex-2-en-4-yn-1-ol
CID 133672767
6-Methyl-hepta-4,5-dien-2-yn-1-ol
CID 12923946
5-Methylhex-5-en-3-yn-1-ol
CID 12546242

Frequently Asked Questions

What is the IUPAC name of 5-methylhex-4-en-2-yn-1-ol?
The IUPAC name of 5-methylhex-4-en-2-yn-1-ol (CID 10866279) is 5-methylhex-4-en-2-yn-1-ol.
What is the SMILES notation for 5-methylhex-4-en-2-yn-1-ol?
The canonical SMILES for 5-methylhex-4-en-2-yn-1-ol is CC(C)=CC#CCO.
What is the InChIKey of 5-methylhex-4-en-2-yn-1-ol?
The InChIKey is QEZPDQHMLHCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-7(2)5-3-4-6-8/h5,8H,6H2,1-2H3.
What are the key properties of 5-methylhex-4-en-2-yn-1-ol?
5-methylhex-4-en-2-yn-1-ol has a molecular weight of 110.16 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-4-en-2-yn-1-ol is sourced from PubChem (CID 10866279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).