(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene

C25H42 — CID 101024695

IUPAC(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene
SMILESC=C[C@H](C)CC[C@H](C/C=C(\C)CCC=C(C)C)C(=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/h9,12-13,17,22,25H,1,8,10-11,14-16,18-19H2,2-7H3/b23-17+/t22-,25+/m0/s1
InChIKeyVLXSQAFKTICBAS-VURWIQAASA-N
MW342.61 g/mol
LogP8.59
Rot. Bonds13

About (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene

(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene (PubChem CID 101024695) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene.

Molecular Properties

Compound Name(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene
PubChem CID101024695
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Name(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene
SMILESC=C[C@H](C)CC[C@H](C/C=C(\C)CCC=C(C)C)C(=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/h9,12-13,17,22,25H,1,8,10-11,14-16,18-19H2,2-7H3/b23-17+/t22-,25+/m0/s1
InChIKeyVLXSQAFKTICBAS-VURWIQAASA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
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'}

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Related Compounds

(6E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadeca-2,6-diene
CID 5471131
(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene
CID 5471130
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
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
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
(2R)-7-methyl-3-methylideneoct-6-en-2-ol
CID 10953746
2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene
CID 54386558
(6E)-10-ethenyl-2,6,13-trimethyltetradeca-2,6-diene
CID 140642313
(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene
CID 52929831
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613

Frequently Asked Questions

What is the IUPAC name of (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene?
The IUPAC name of (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene (CID 101024695) is (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene.
What is the SMILES notation for (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene?
The canonical SMILES for (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene is C=C[C@H](C)CC[C@H](C/C=C(\C)CCC=C(C)C)C(=C)CCC=C(C)C.
What is the InChIKey of (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene?
The InChIKey is VLXSQAFKTICBAS-VURWIQAASA-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/h9,12-13,17,22,25H,1,8,10-11,14-16,18-19H2,2-7H3/b23-17+/t22-,25+/m0/s1.
What are the key properties of (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene?
(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene has a molecular weight of 342.61 g/mol, XLogP of 8.59, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene is sourced from PubChem (CID 101024695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).