(5E,7Z)-13-methylideneheptadeca-5,7-diene

C18H32 — CID 57162564

IUPAC(5E,7Z)-13-methylideneheptadeca-5,7-diene
SMILESC=C(CCCC)CCCC/C=C\C=C\CCCC
InChIInChI=1S/C18H32/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h9-12H,3-8,13-17H2,1-2H3/b10-9+,12-11-
InChIKeyCYTHAWLVBYZVPG-PVHUKWJHSA-N
MW248.45 g/mol
LogP6.60
Rot. Bonds12

About (5E,7Z)-13-methylideneheptadeca-5,7-diene

(5E,7Z)-13-methylideneheptadeca-5,7-diene (PubChem CID 57162564) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (5E,7Z)-13-methylideneheptadeca-5,7-diene.

Molecular Properties

Compound Name(5E,7Z)-13-methylideneheptadeca-5,7-diene
PubChem CID57162564
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(5E,7Z)-13-methylideneheptadeca-5,7-diene
SMILESC=C(CCCC)CCCC/C=C\C=C\CCCC
InChIInChI=1S/C18H32/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h9-12H,3-8,13-17H2,1-2H3/b10-9+,12-11-
InChIKeyCYTHAWLVBYZVPG-PVHUKWJHSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(10Z,12E,14Z)-nonadeca-1,10,12,14-tetraen-2-yl]mercury
CID 145462727
8-methylidenedodec-1-ene
CID 169088157
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
tritriaconta-12,14-dien-5-one
CID 162922965
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
2-methylprop-2-enoic acid;octadeca-9,11,13-trienoic acid
CID 174415565
6-methylidenedodecane
CID 21453027
(22E)-heptatetraconta-22,24-diene
CID 56629131
6-methylidenetetradecane
CID 21477883
tetradeca-7,9-dien-1-ol
CID 56637976

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-13-methylideneheptadeca-5,7-diene?
The IUPAC name of (5E,7Z)-13-methylideneheptadeca-5,7-diene (CID 57162564) is (5E,7Z)-13-methylideneheptadeca-5,7-diene.
What is the SMILES notation for (5E,7Z)-13-methylideneheptadeca-5,7-diene?
The canonical SMILES for (5E,7Z)-13-methylideneheptadeca-5,7-diene is C=C(CCCC)CCCC/C=C\C=C\CCCC.
What is the InChIKey of (5E,7Z)-13-methylideneheptadeca-5,7-diene?
The InChIKey is CYTHAWLVBYZVPG-PVHUKWJHSA-N. The full InChI is InChI=1S/C18H32/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2/h9-12H,3-8,13-17H2,1-2H3/b10-9+,12-11-.
What are the key properties of (5E,7Z)-13-methylideneheptadeca-5,7-diene?
(5E,7Z)-13-methylideneheptadeca-5,7-diene has a molecular weight of 248.45 g/mol, XLogP of 6.60, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-13-methylideneheptadeca-5,7-diene is sourced from PubChem (CID 57162564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).