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

C25H44 — CID 101024693

IUPAC(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
SMILESC=C[C@H](C)CC[C@H](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+/t22-,25+/m0/s1
InChIKeyQNCOYEQQDOUCMW-VURWIQAASA-N
MW344.63 g/mol
LogP8.67
Rot. Bonds14

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

(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene (PubChem CID 101024693) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene.

Molecular Properties

Compound Name(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
PubChem CID101024693
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Name(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
SMILESC=C[C@H](C)CC[C@H](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+/t22-,25+/m0/s1
InChIKeyQNCOYEQQDOUCMW-VURWIQAASA-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'}

Analyze (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene with MolForge

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Related Compounds

Beta-Bisabolene
CID 10104370
Elemene
CID 12309449
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
alpha-Camphorene
CID 101750
Sesquiphellandrene
CID 519764
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
(-)-Cembrene A
CID 5281384
beta-Terpinene
CID 66841
beta-Sesquiphellandrene
CID 12315492
Neophytadiene
CID 10446
trans-Isolimonene
CID 22831540

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-diene?
The IUPAC name of (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene (CID 101024693) is (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene.
What is the SMILES notation for (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene?
The canonical SMILES for (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene is C=C[C@H](C)CC[C@H](C/C=C(\C)CCC=C(C)C)C(=C)CCCC(C)C.
What is the InChIKey of (6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene?
The InChIKey is QNCOYEQQDOUCMW-VURWIQAASA-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+/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-diene?
(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-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,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene is sourced from PubChem (CID 101024693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).