(Z)-heptadec-8-enal

C17H32O — CID 6430106

IUPAC(Z)-heptadec-8-enal
SMILESCCCCCCCC/C=C\CCCCCCC=O
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10,17H,2-8,11-16H2,1H3/b10-9-
InChIKeyUZXKSNXOPFPOKK-KTKRTIGZSA-N
MW252.44 g/mol
LogP5.83
Rot. Bonds14

About (Z)-heptadec-8-enal

(Z)-heptadec-8-enal (PubChem CID 6430106) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (Z)-heptadec-8-enal.

Molecular Properties

Compound Name(Z)-heptadec-8-enal
PubChem CID6430106
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(Z)-heptadec-8-enal
SMILESCCCCCCCC/C=C\CCCCCCC=O
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10,17H,2-8,11-16H2,1H3/b10-9-
InChIKeyUZXKSNXOPFPOKK-KTKRTIGZSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-Octadecenal
CID 5283381
10-Undecenal
CID 8187
9-Octadecenal, (9Z)-
CID 5364492
11-Hexadecenal, (11Z)-
CID 5364495
9-Decenal
CID 162392
cis-6-Nonenal
CID 5362720
(Z)-9-Hexadecenal
CID 5364643
13-Octadecenal, (13Z)-
CID 5364497
7-Tetradecenal, (7Z)-
CID 5364468
16-Octadecenal
CID 5367668
(E)-4-Undecenal
CID 5283357
Tangerinal
CID 6430180

Frequently Asked Questions

What is the IUPAC name of (Z)-heptadec-8-enal?
The IUPAC name of (Z)-heptadec-8-enal (CID 6430106) is (Z)-heptadec-8-enal.
What is the SMILES notation for (Z)-heptadec-8-enal?
The canonical SMILES for (Z)-heptadec-8-enal is CCCCCCCC/C=C\CCCCCCC=O.
What is the InChIKey of (Z)-heptadec-8-enal?
The InChIKey is UZXKSNXOPFPOKK-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10,17H,2-8,11-16H2,1H3/b10-9-.
What are the key properties of (Z)-heptadec-8-enal?
(Z)-heptadec-8-enal has a molecular weight of 252.44 g/mol, XLogP of 5.83, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-heptadec-8-enal is sourced from PubChem (CID 6430106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).