(4E,7E)-2-methylheptadeca-4,7-diene

C18H34 — CID 177270095

IUPAC(4E,7E)-2-methylheptadeca-4,7-diene
SMILESCCCCCCCCC/C=C/C/C=C/CC(C)C
InChIInChI=1S/C18H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h12-13,15-16,18H,4-11,14,17H2,1-3H3/b13-12+,16-15+
InChIKeyMVWILKCWXVTFIC-XUPYMNJSSA-N
MW250.47 g/mol
LogP6.68
Rot. Bonds12

About (4E,7E)-2-methylheptadeca-4,7-diene

(4E,7E)-2-methylheptadeca-4,7-diene (PubChem CID 177270095) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is (4E,7E)-2-methylheptadeca-4,7-diene.

Molecular Properties

Compound Name(4E,7E)-2-methylheptadeca-4,7-diene
PubChem CID177270095
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name(4E,7E)-2-methylheptadeca-4,7-diene
SMILESCCCCCCCCC/C=C/C/C=C/CC(C)C
InChIInChI=1S/C18H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h12-13,15-16,18H,4-11,14,17H2,1-3H3/b13-12+,16-15+
InChIKeyMVWILKCWXVTFIC-XUPYMNJSSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.68
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'}

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Related Compounds

2-methyldodeca-4,7-diene
CID 123659021
(E)-2-methyldec-4-ene
CID 5364887
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
(5E,8E)-tetradeca-5,8-diene
CID 13430684
heptadeca-5,8,11-triene
CID 54101473
(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
CID 173133183
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
hexadeca-3,6,9-triene
CID 56627141

Frequently Asked Questions

What is the IUPAC name of (4E,7E)-2-methylheptadeca-4,7-diene?
The IUPAC name of (4E,7E)-2-methylheptadeca-4,7-diene (CID 177270095) is (4E,7E)-2-methylheptadeca-4,7-diene.
What is the SMILES notation for (4E,7E)-2-methylheptadeca-4,7-diene?
The canonical SMILES for (4E,7E)-2-methylheptadeca-4,7-diene is CCCCCCCCC/C=C/C/C=C/CC(C)C.
What is the InChIKey of (4E,7E)-2-methylheptadeca-4,7-diene?
The InChIKey is MVWILKCWXVTFIC-XUPYMNJSSA-N. The full InChI is InChI=1S/C18H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h12-13,15-16,18H,4-11,14,17H2,1-3H3/b13-12+,16-15+.
What are the key properties of (4E,7E)-2-methylheptadeca-4,7-diene?
(4E,7E)-2-methylheptadeca-4,7-diene has a molecular weight of 250.47 g/mol, XLogP of 6.68, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E)-2-methylheptadeca-4,7-diene is sourced from PubChem (CID 177270095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).