(3Z,5E)-hepta-3,5-dien-2-one

C7H10O — CID 12524557

IUPAC(3Z,5E)-hepta-3,5-dien-2-one
SMILESC/C=C/C=C\C(C)=O
InChIInChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6H,1-2H3/b4-3+,6-5-
InChIKeySWGLACWOVFCDQS-ICWBMWKASA-N
MW110.16 g/mol
LogP1.71
Rot. Bonds2

About (3Z,5E)-hepta-3,5-dien-2-one

(3Z,5E)-hepta-3,5-dien-2-one (PubChem CID 12524557) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (3Z,5E)-hepta-3,5-dien-2-one.

Molecular Properties

Compound Name(3Z,5E)-hepta-3,5-dien-2-one
PubChem CID12524557
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(3Z,5E)-hepta-3,5-dien-2-one
SMILESC/C=C/C=C\C(C)=O
InChIInChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6H,1-2H3/b4-3+,6-5-
InChIKeySWGLACWOVFCDQS-ICWBMWKASA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
CID 10749538
pent-3-en-2-one
CID 12248
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
6-oxohepta-2,4-dienal
CID 54295604
bis((2E,4E)-hexa-2,4-dienoic acid);hydrate
CID 175549543
hexa-2,4-dienoic acid;sulfane
CID 173071228
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
(E)-hex-3-ene-2,5-dione
CID 5363639
ethane;methane;(E)-pent-3-en-2-one
CID 157296022

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-hepta-3,5-dien-2-one?
The IUPAC name of (3Z,5E)-hepta-3,5-dien-2-one (CID 12524557) is (3Z,5E)-hepta-3,5-dien-2-one.
What is the SMILES notation for (3Z,5E)-hepta-3,5-dien-2-one?
The canonical SMILES for (3Z,5E)-hepta-3,5-dien-2-one is C/C=C/C=C\C(C)=O.
What is the InChIKey of (3Z,5E)-hepta-3,5-dien-2-one?
The InChIKey is SWGLACWOVFCDQS-ICWBMWKASA-N. The full InChI is InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6H,1-2H3/b4-3+,6-5-.
What are the key properties of (3Z,5E)-hepta-3,5-dien-2-one?
(3Z,5E)-hepta-3,5-dien-2-one has a molecular weight of 110.16 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-hepta-3,5-dien-2-one is sourced from PubChem (CID 12524557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).