2-ethenyl-5-methylhexan-1-ol

C9H18O — CID 86145365

IUPAC2-ethenyl-5-methylhexan-1-ol
SMILESC=CC(CO)CCC(C)C
InChIInChI=1S/C9H18O/c1-4-9(7-10)6-5-8(2)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyXLLXTAWJDWOJGU-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.22
Rot. Bonds5

About 2-ethenyl-5-methylhexan-1-ol

2-ethenyl-5-methylhexan-1-ol (PubChem CID 86145365) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-ethenyl-5-methylhexan-1-ol.

Molecular Properties

Compound Name2-ethenyl-5-methylhexan-1-ol
PubChem CID86145365
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-ethenyl-5-methylhexan-1-ol
SMILESC=CC(CO)CCC(C)C
InChIInChI=1S/C9H18O/c1-4-9(7-10)6-5-8(2)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyXLLXTAWJDWOJGU-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-5-methylhexan-1-ol?
The IUPAC name of 2-ethenyl-5-methylhexan-1-ol (CID 86145365) is 2-ethenyl-5-methylhexan-1-ol.
What is the SMILES notation for 2-ethenyl-5-methylhexan-1-ol?
The canonical SMILES for 2-ethenyl-5-methylhexan-1-ol is C=CC(CO)CCC(C)C.
What is the InChIKey of 2-ethenyl-5-methylhexan-1-ol?
The InChIKey is XLLXTAWJDWOJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-9(7-10)6-5-8(2)3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 2-ethenyl-5-methylhexan-1-ol?
2-ethenyl-5-methylhexan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methylhexan-1-ol is sourced from PubChem (CID 86145365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).