hept-4-en-3-ol

C7H14O — CID 54304315

IUPAChept-4-en-3-ol
SMILESCCC=CC(O)CC
InChIInChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyVOGZQUBNQCQGNN-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.72
Rot. Bonds3

About hept-4-en-3-ol

hept-4-en-3-ol (PubChem CID 54304315) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is hept-4-en-3-ol.

Molecular Properties

Compound Namehept-4-en-3-ol
PubChem CID54304315
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Namehept-4-en-3-ol
SMILESCCC=CC(O)CC
InChIInChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyVOGZQUBNQCQGNN-UHFFFAOYSA-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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Related Compounds

2-Hexen-1-ol
CID 5318042
trans-2,cis-6-Nonadienol
CID 5362833
2-Penten-1-ol
CID 5364920
1-Penten-3-Ol
CID 12020
2-Octen-4-ol, (2E)-
CID 5366203
(Z)-2-Penten-1-ol
CID 5364919
2-Cyclohexen-1-OL
CID 13198
Pent-2-en-1-ol
CID 15306
3-Octen-2-ol
CID 42538
2-Heptenol
CID 5318017
Hept-4-en-2-ol
CID 100886
1,5-Octadien-3-ol
CID 205986

Frequently Asked Questions

What is the IUPAC name of hept-4-en-3-ol?
The IUPAC name of hept-4-en-3-ol (CID 54304315) is hept-4-en-3-ol.
What is the SMILES notation for hept-4-en-3-ol?
The canonical SMILES for hept-4-en-3-ol is CCC=CC(O)CC.
What is the InChIKey of hept-4-en-3-ol?
The InChIKey is VOGZQUBNQCQGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of hept-4-en-3-ol?
hept-4-en-3-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 hept-4-en-3-ol is sourced from PubChem (CID 54304315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).