(Z)-heptadec-7-en-2-one

C17H32O — CID 90307080

IUPAC(Z)-heptadec-7-en-2-one
SMILESCCCCCCCCC/C=C\CCCCC(C)=O
InChIInChI=1S/C17H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h11-12H,3-10,13-16H2,1-2H3/b12-11-
InChIKeyJSQCJGGAXMOVJV-QXMHVHEDSA-N
MW252.44 g/mol
LogP5.83
Rot. Bonds13

About (Z)-heptadec-7-en-2-one

(Z)-heptadec-7-en-2-one (PubChem CID 90307080) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (Z)-heptadec-7-en-2-one.

Molecular Properties

Compound Name(Z)-heptadec-7-en-2-one
PubChem CID90307080
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(Z)-heptadec-7-en-2-one
SMILESCCCCCCCCC/C=C\CCCCC(C)=O
InChIInChI=1S/C17H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h11-12H,3-10,13-16H2,1-2H3/b12-11-
InChIKeyJSQCJGGAXMOVJV-QXMHVHEDSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.83
H-Bond Donors ≤ 50
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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Related Compounds

henicos-9-en-2-one
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(E)-dotriacont-23-en-2-one
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(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(Z)-tricos-16-en-2-one
CID 134866400
tetratriacont-20-en-2-one
CID 56637991
disodium;hydride;(Z)-nonadec-10-en-2-one
CID 175011557
heptatriaconta-6,28-dien-2-one
CID 549930
pentadec-10-en-2-one
CID 71443705
(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807
dodec-7-en-2-one
CID 123882998
nonadeca-9,11-dien-2-one
CID 76564066

Frequently Asked Questions

What is the IUPAC name of (Z)-heptadec-7-en-2-one?
The IUPAC name of (Z)-heptadec-7-en-2-one (CID 90307080) is (Z)-heptadec-7-en-2-one.
What is the SMILES notation for (Z)-heptadec-7-en-2-one?
The canonical SMILES for (Z)-heptadec-7-en-2-one is CCCCCCCCC/C=C\CCCCC(C)=O.
What is the InChIKey of (Z)-heptadec-7-en-2-one?
The InChIKey is JSQCJGGAXMOVJV-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h11-12H,3-10,13-16H2,1-2H3/b12-11-.
What are the key properties of (Z)-heptadec-7-en-2-one?
(Z)-heptadec-7-en-2-one has a molecular weight of 252.44 g/mol, XLogP of 5.83, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-heptadec-7-en-2-one is sourced from PubChem (CID 90307080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).