(6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene

C25H44 — CID 5471131

IUPAC(6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene
SMILESC=CC(C)CCC(C/C=C(\C)CCC=C(C)C)C(=C)CCCC(C)C
InChIInChI=1S/C25H44/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,12,17,21-22,25H,1,8,10-11,13-16,18-19H2,2-7H3/b23-17+
InChIKeyQNCOYEQQDOUCMW-HAVVHWLPSA-N
MW344.63 g/mol
LogP8.67
Rot. Bonds14

About (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene

(6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene (PubChem CID 5471131) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene.

Molecular Properties

Compound Name(6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene
PubChem CID5471131
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Name(6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene
SMILESC=CC(C)CCC(C/C=C(\C)CCC=C(C)C)C(=C)CCCC(C)C
InChIInChI=1S/C25H44/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,12,17,21-22,25H,1,8,10-11,13-16,18-19H2,2-7H3/b23-17+
InChIKeyQNCOYEQQDOUCMW-HAVVHWLPSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene
CID 101024695
(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene
CID 5471130
(E,2R,9R,13R)-5,9,13,17-tetramethyl-2-[(6S,10S)-6,10,14-trimethylpentadec-1-en-2-yl]octadec-4-en-1-ol
CID 637211
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(6E)-10-ethenyl-2,6,13-trimethyltetradeca-2,6-diene
CID 140642313
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol
CID 72753022
9-ethyl-2,6,10-trimethyldodeca-2,6,10-triene
CID 123703093
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
magnesium;3,7,11-trimethyldodeca-2,6-diene;dichloride
CID 174246815
2,6-dimethylocta-1,7-diene;(3E)-3,7-dimethylocta-1,3-diene;3,7-dimethylocta-1,6-diene;(5E)-2,6-dimethylocta-1,5-diene;(5E)-2,6-dimethylocta-2,5-diene;(6E)-2,6-dimethylocta-1,6-diene
CID 161213179

Frequently Asked Questions

What is the IUPAC name of (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene?
The IUPAC name of (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene (CID 5471131) is (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene.
What is the SMILES notation for (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene?
The canonical SMILES for (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene is C=CC(C)CCC(C/C=C(\C)CCC=C(C)C)C(=C)CCCC(C)C.
What is the InChIKey of (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene?
The InChIKey is QNCOYEQQDOUCMW-HAVVHWLPSA-N. The full InChI is InChI=1S/C25H44/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,12,17,21-22,25H,1,8,10-11,13-16,18-19H2,2-7H3/b23-17+.
What are the key properties of (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene?
(6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene has a molecular weight of 344.63 g/mol, XLogP of 8.67, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene is sourced from PubChem (CID 5471131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).