2-ethenyl-4-methylpentane-1,3-diol

C8H16O2 — CID 14527494

IUPAC2-ethenyl-4-methylpentane-1,3-diol
SMILESC=CC(CO)C(O)C(C)C
InChIInChI=1S/C8H16O2/c1-4-7(5-9)8(10)6(2)3/h4,6-10H,1,5H2,2-3H3
InChIKeyURRCZMDCQOGCGR-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.80
Rot. Bonds4

About 2-ethenyl-4-methylpentane-1,3-diol

2-ethenyl-4-methylpentane-1,3-diol (PubChem CID 14527494) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-ethenyl-4-methylpentane-1,3-diol.

Molecular Properties

Compound Name2-ethenyl-4-methylpentane-1,3-diol
PubChem CID14527494
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-ethenyl-4-methylpentane-1,3-diol
SMILESC=CC(CO)C(O)C(C)C
InChIInChI=1S/C8H16O2/c1-4-7(5-9)8(10)6(2)3/h4,6-10H,1,5H2,2-3H3
InChIKeyURRCZMDCQOGCGR-UHFFFAOYSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methylpentane-1,3-diol?
The IUPAC name of 2-ethenyl-4-methylpentane-1,3-diol (CID 14527494) is 2-ethenyl-4-methylpentane-1,3-diol.
What is the SMILES notation for 2-ethenyl-4-methylpentane-1,3-diol?
The canonical SMILES for 2-ethenyl-4-methylpentane-1,3-diol is C=CC(CO)C(O)C(C)C.
What is the InChIKey of 2-ethenyl-4-methylpentane-1,3-diol?
The InChIKey is URRCZMDCQOGCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-7(5-9)8(10)6(2)3/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 2-ethenyl-4-methylpentane-1,3-diol?
2-ethenyl-4-methylpentane-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methylpentane-1,3-diol is sourced from PubChem (CID 14527494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).