(E)-hept-2-en-4-ol

C7H14O — CID 5366235

IUPAC(E)-hept-2-en-4-ol
SMILESC/C=C/C(O)CCC
InChIInChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,5,7-8H,4,6H2,1-2H3/b5-3+
InChIKeyDODCYMXUZOEOQF-HWKANZROSA-N
MW114.19 g/mol
LogP1.72
Rot. Bonds3

About (E)-hept-2-en-4-ol

(E)-hept-2-en-4-ol (PubChem CID 5366235) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-hept-2-en-4-ol.

Molecular Properties

Compound Name(E)-hept-2-en-4-ol
PubChem CID5366235
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(E)-hept-2-en-4-ol
SMILESC/C=C/C(O)CCC
InChIInChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,5,7-8H,4,6H2,1-2H3/b5-3+
InChIKeyDODCYMXUZOEOQF-HWKANZROSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.72
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 (E)-hept-2-en-4-ol?
The IUPAC name of (E)-hept-2-en-4-ol (CID 5366235) is (E)-hept-2-en-4-ol.
What is the SMILES notation for (E)-hept-2-en-4-ol?
The canonical SMILES for (E)-hept-2-en-4-ol is C/C=C/C(O)CCC.
What is the InChIKey of (E)-hept-2-en-4-ol?
The InChIKey is DODCYMXUZOEOQF-HWKANZROSA-N. The full InChI is InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,5,7-8H,4,6H2,1-2H3/b5-3+.
What are the key properties of (E)-hept-2-en-4-ol?
(E)-hept-2-en-4-ol has a molecular weight of 114.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hept-2-en-4-ol is sourced from PubChem (CID 5366235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).