(E)-4-methylpent-1-en-1-ol

C6H12O — CID 22598252

IUPAC(E)-4-methylpent-1-en-1-ol
SMILESCC(C)C/C=C/O
InChIInChI=1S/C6H12O/c1-6(2)4-3-5-7/h3,5-7H,4H2,1-2H3/b5-3+
InChIKeyJEJCCEAYQMROLL-HWKANZROSA-N
MW100.16 g/mol
LogP2.10
Rot. Bonds2

About (E)-4-methylpent-1-en-1-ol

(E)-4-methylpent-1-en-1-ol (PubChem CID 22598252) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (E)-4-methylpent-1-en-1-ol.

Molecular Properties

Compound Name(E)-4-methylpent-1-en-1-ol
PubChem CID22598252
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(E)-4-methylpent-1-en-1-ol
SMILESCC(C)C/C=C/O
InChIInChI=1S/C6H12O/c1-6(2)4-3-5-7/h3,5-7H,4H2,1-2H3/b5-3+
InChIKeyJEJCCEAYQMROLL-HWKANZROSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methylpent-1-en-1-ol?
The IUPAC name of (E)-4-methylpent-1-en-1-ol (CID 22598252) is (E)-4-methylpent-1-en-1-ol.
What is the SMILES notation for (E)-4-methylpent-1-en-1-ol?
The canonical SMILES for (E)-4-methylpent-1-en-1-ol is CC(C)C/C=C/O.
What is the InChIKey of (E)-4-methylpent-1-en-1-ol?
The InChIKey is JEJCCEAYQMROLL-HWKANZROSA-N. The full InChI is InChI=1S/C6H12O/c1-6(2)4-3-5-7/h3,5-7H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-4-methylpent-1-en-1-ol?
(E)-4-methylpent-1-en-1-ol has a molecular weight of 100.16 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylpent-1-en-1-ol is sourced from PubChem (CID 22598252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).