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

C25H46 — CID 101024689

IUPAC(E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene
SMILESC=C[C@H](C)CC[C@H](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+/t22-,25+/m0/s1
InChIKeyBSXYLMVBPPIDSG-VURWIQAASA-N
MW346.64 g/mol
LogP8.75
Rot. Bonds15

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

(E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene (PubChem CID 101024689) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene.

Molecular Properties

Compound Name(E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene
PubChem CID101024689
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name(E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene
SMILESC=C[C@H](C)CC[C@H](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+/t22-,25+/m0/s1
InChIKeyBSXYLMVBPPIDSG-VURWIQAASA-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'}

Analyze (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene 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 (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene?
The IUPAC name of (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene (CID 101024689) is (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene.
What is the SMILES notation for (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene?
The canonical SMILES for (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene is C=C[C@H](C)CC[C@H](C/C=C(\C)CCCC(C)C)C(=C)CCCC(C)C.
What is the InChIKey of (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene?
The InChIKey is BSXYLMVBPPIDSG-VURWIQAASA-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+/t22-,25+/m0/s1.
What are the key properties of (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene?
(E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-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,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene is sourced from PubChem (CID 101024689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).