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

C25H46 — CID 5471130

IUPAC(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene
SMILESC=CC(C)CCC(C/C=C(\C)CCCC(C)C)C(=C)CCCC(C)C
InChIInChI=1S/C25H46/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/h9,17,20-22,25H,1,8,10-16,18-19H2,2-7H3/b23-17+
InChIKeyBSXYLMVBPPIDSG-HAVVHWLPSA-N
MW346.64 g/mol
LogP8.75
Rot. Bonds15

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

(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene (PubChem CID 5471130) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is (E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene.

Molecular Properties

Compound Name(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene
PubChem CID5471130
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene
SMILESC=CC(C)CCC(C/C=C(\C)CCCC(C)C)C(=C)CCCC(C)C
InChIInChI=1S/C25H46/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/h9,17,20-22,25H,1,8,10-16,18-19H2,2-7H3/b23-17+
InChIKeyBSXYLMVBPPIDSG-HAVVHWLPSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.75
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)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene
CID 5471131
(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene
CID 101024695
(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
(E)-4,8-dimethylnon-3-ene
CID 22743489
3,8-dimethylnon-1-ene
CID 54356105
3,6-dimethylhept-1-ene
CID 18443713
(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene
CID 162828118
3,6-dimethylhept-1-ene;ethane
CID 142076338
1-chloro-4,8-dimethylnon-3-ene
CID 83163373
6,10-dimethylundec-5-en-2-ol
CID 57253097
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
4,9-dimethyldec-3-ene
CID 91170380

Frequently Asked Questions

What is the IUPAC name of (E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene?
The IUPAC name of (E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene (CID 5471130) is (E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene.
What is the SMILES notation for (E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene?
The canonical SMILES for (E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene is C=CC(C)CCC(C/C=C(\C)CCCC(C)C)C(=C)CCCC(C)C.
What is the InChIKey of (E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene?
The InChIKey is BSXYLMVBPPIDSG-HAVVHWLPSA-N. The full InChI is InChI=1S/C25H46/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/h9,17,20-22,25H,1,8,10-16,18-19H2,2-7H3/b23-17+.
What are the key properties of (E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene?
(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene has a molecular weight of 346.64 g/mol, XLogP of 8.75, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene is sourced from PubChem (CID 5471130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).