(E)-hept-2-en-1-ol

C7H14O — CID 5318017

IUPAC(E)-hept-2-en-1-ol
SMILESCCCC/C=C/CO
InChIInChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+
InChIKeyASFYPVGAALGVNR-AATRIKPKSA-N
MW114.19 g/mol
LogP1.73
Rot. Bonds4

About (E)-hept-2-en-1-ol

(E)-hept-2-en-1-ol (PubChem CID 5318017) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-hept-2-en-1-ol.

Molecular Properties

Compound Name(E)-hept-2-en-1-ol
PubChem CID5318017
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(E)-hept-2-en-1-ol
SMILESCCCC/C=C/CO
InChIInChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+
InChIKeyASFYPVGAALGVNR-AATRIKPKSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-hept-2-en-1-ol?
The IUPAC name of (E)-hept-2-en-1-ol (CID 5318017) is (E)-hept-2-en-1-ol.
What is the SMILES notation for (E)-hept-2-en-1-ol?
The canonical SMILES for (E)-hept-2-en-1-ol is CCCC/C=C/CO.
What is the InChIKey of (E)-hept-2-en-1-ol?
The InChIKey is ASFYPVGAALGVNR-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+.
What are the key properties of (E)-hept-2-en-1-ol?
(E)-hept-2-en-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hept-2-en-1-ol is sourced from PubChem (CID 5318017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).