(6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene

C25H42 — CID 162978169

IUPAC(6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene
SMILESC=C[C@@H](C)C/C=C(\C/C=C(/C)CCC=C(C)C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C25H42/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/h9,12-13,17-18,22,24H,1,10-11,14-16,19H2,2-8H3/b23-17-,25-18+/t22-,24-/m1/s1
InChIKeyVDOFLWFFQCRKTK-JHBVBHIGSA-N
MW342.61 g/mol
LogP8.59
Rot. Bonds12

About (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene

(6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene (PubChem CID 162978169) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene.

Molecular Properties

Compound Name(6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene
PubChem CID162978169
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Name(6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene
SMILESC=C[C@@H](C)C/C=C(\C/C=C(/C)CCC=C(C)C)[C@H](C)CCC=C(C)C
InChIInChI=1S/C25H42/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/h9,12-13,17-18,22,24H,1,10-11,14-16,19H2,2-8H3/b23-17-,25-18+/t22-,24-/m1/s1
InChIKeyVDOFLWFFQCRKTK-JHBVBHIGSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
Dihydromyrcene
CID 17090
alpha-Bisabolene
CID 86597
alpha-Camphorene
CID 101750
Dihydromyrcene, (+)-
CID 10887985
(+)-germacrene A
CID 9548705
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
2,6-Dimethyl-2-octene
CID 19974

Frequently Asked Questions

What is the IUPAC name of (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene?
The IUPAC name of (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene (CID 162978169) is (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene.
What is the SMILES notation for (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene?
The canonical SMILES for (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene is C=C[C@@H](C)C/C=C(\C/C=C(/C)CCC=C(C)C)[C@H](C)CCC=C(C)C.
What is the InChIKey of (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene?
The InChIKey is VDOFLWFFQCRKTK-JHBVBHIGSA-N. The full InChI is InChI=1S/C25H42/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/h9,12-13,17-18,22,24H,1,10-11,14-16,19H2,2-8H3/b23-17-,25-18+/t22-,24-/m1/s1.
What are the key properties of (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene?
(6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene has a molecular weight of 342.61 g/mol, XLogP of 8.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene is sourced from PubChem (CID 162978169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).