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

C24H42 — CID 162882710

IUPAC(2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
SMILESC=C[C@H](C)CC[C@H](C/C=C(\C)CC/C=C/C)C(=C)CCCC(C)C
InChIInChI=1S/C24H42/c1-8-10-11-14-22(6)17-19-24(18-16-21(5)9-2)23(7)15-12-13-20(3)4/h8-10,17,20-21,24H,2,7,11-16,18-19H2,1,3-6H3/b10-8+,22-17+/t21-,24+/m0/s1
InChIKeyPQSQPHWBYNFUOI-CKXXDYJYSA-N
MW330.60 g/mol
LogP8.28
Rot. Bonds14

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

(2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene (PubChem CID 162882710) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is (2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene.

Molecular Properties

Compound Name(2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
PubChem CID162882710
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name(2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
SMILESC=C[C@H](C)CC[C@H](C/C=C(\C)CC/C=C/C)C(=C)CCCC(C)C
InChIInChI=1S/C24H42/c1-8-10-11-14-22(6)17-19-24(18-16-21(5)9-2)23(7)15-12-13-20(3)4/h8-10,17,20-21,24H,2,7,11-16,18-19H2,1,3-6H3/b10-8+,22-17+/t21-,24+/m0/s1
InChIKeyPQSQPHWBYNFUOI-CKXXDYJYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E,6E,9R)-6,14-dimethyl-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 (2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene?
The IUPAC name of (2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene (CID 162882710) is (2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene.
What is the SMILES notation for (2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene?
The canonical SMILES for (2E,6E,9R)-6,14-dimethyl-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)CC/C=C/C)C(=C)CCCC(C)C.
What is the InChIKey of (2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene?
The InChIKey is PQSQPHWBYNFUOI-CKXXDYJYSA-N. The full InChI is InChI=1S/C24H42/c1-8-10-11-14-22(6)17-19-24(18-16-21(5)9-2)23(7)15-12-13-20(3)4/h8-10,17,20-21,24H,2,7,11-16,18-19H2,1,3-6H3/b10-8+,22-17+/t21-,24+/m0/s1.
What are the key properties of (2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene?
(2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene has a molecular weight of 330.60 g/mol, XLogP of 8.28, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene is sourced from PubChem (CID 162882710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).