(7Z,11Z)-4-methylheptadeca-7,11-dienal

C18H32O — CID 10400609

IUPAC(7Z,11Z)-4-methylheptadeca-7,11-dienal
SMILESCCCCC/C=C\CC/C=C\CCC(C)CCC=O
InChIInChI=1S/C18H32O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3/b8-7-,12-11-
InChIKeyBXUVLPDAJOPHFD-MQEUWQHPSA-N
MW264.45 g/mol
LogP5.85
Rot. Bonds13

About (7Z,11Z)-4-methylheptadeca-7,11-dienal

(7Z,11Z)-4-methylheptadeca-7,11-dienal (PubChem CID 10400609) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (7Z,11Z)-4-methylheptadeca-7,11-dienal.

Molecular Properties

Compound Name(7Z,11Z)-4-methylheptadeca-7,11-dienal
PubChem CID10400609
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(7Z,11Z)-4-methylheptadeca-7,11-dienal
SMILESCCCCC/C=C\CC/C=C\CCC(C)CCC=O
InChIInChI=1S/C18H32O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3/b8-7-,12-11-
InChIKeyBXUVLPDAJOPHFD-MQEUWQHPSA-N
XLogP5.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.85
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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Frequently Asked Questions

What is the IUPAC name of (7Z,11Z)-4-methylheptadeca-7,11-dienal?
The IUPAC name of (7Z,11Z)-4-methylheptadeca-7,11-dienal (CID 10400609) is (7Z,11Z)-4-methylheptadeca-7,11-dienal.
What is the SMILES notation for (7Z,11Z)-4-methylheptadeca-7,11-dienal?
The canonical SMILES for (7Z,11Z)-4-methylheptadeca-7,11-dienal is CCCCC/C=C\CC/C=C\CCC(C)CCC=O.
What is the InChIKey of (7Z,11Z)-4-methylheptadeca-7,11-dienal?
The InChIKey is BXUVLPDAJOPHFD-MQEUWQHPSA-N. The full InChI is InChI=1S/C18H32O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3/b8-7-,12-11-.
What are the key properties of (7Z,11Z)-4-methylheptadeca-7,11-dienal?
(7Z,11Z)-4-methylheptadeca-7,11-dienal has a molecular weight of 264.45 g/mol, XLogP of 5.85, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,11Z)-4-methylheptadeca-7,11-dienal is sourced from PubChem (CID 10400609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).