(2E,4E)-hepta-2,4,6-trien-2-ol

C7H10O — CID 173388700

IUPAC(2E,4E)-hepta-2,4,6-trien-2-ol
SMILESC=C/C=C/C=C(\C)O
InChIInChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6,8H,1H2,2H3/b5-4+,7-6+
InChIKeyFDFDMVVRQDPWIN-YTXTXJHMSA-N
MW110.16 g/mol
LogP2.19
Rot. Bonds2

About (2E,4E)-hepta-2,4,6-trien-2-ol

(2E,4E)-hepta-2,4,6-trien-2-ol (PubChem CID 173388700) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (2E,4E)-hepta-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2E,4E)-hepta-2,4,6-trien-2-ol
PubChem CID173388700
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(2E,4E)-hepta-2,4,6-trien-2-ol
SMILESC=C/C=C/C=C(\C)O
InChIInChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6,8H,1H2,2H3/b5-4+,7-6+
InChIKeyFDFDMVVRQDPWIN-YTXTXJHMSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-hepta-2,4,6-trien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hepta-2,4,6-trien-2-ol?
The IUPAC name of (2E,4E)-hepta-2,4,6-trien-2-ol (CID 173388700) is (2E,4E)-hepta-2,4,6-trien-2-ol.
What is the SMILES notation for (2E,4E)-hepta-2,4,6-trien-2-ol?
The canonical SMILES for (2E,4E)-hepta-2,4,6-trien-2-ol is C=C/C=C/C=C(\C)O.
What is the InChIKey of (2E,4E)-hepta-2,4,6-trien-2-ol?
The InChIKey is FDFDMVVRQDPWIN-YTXTXJHMSA-N. The full InChI is InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6,8H,1H2,2H3/b5-4+,7-6+.
What are the key properties of (2E,4E)-hepta-2,4,6-trien-2-ol?
(2E,4E)-hepta-2,4,6-trien-2-ol has a molecular weight of 110.16 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hepta-2,4,6-trien-2-ol is sourced from PubChem (CID 173388700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).