(E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene

C27H52 — CID 143234953

IUPAC(E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene
SMILESC=C(C)CCCC(/C=C/C(C)CCCCC(C)CC)CCCCCCCC
InChIInChI=1S/C27H52/c1-7-9-10-11-12-13-20-27(21-16-17-24(3)4)23-22-26(6)19-15-14-18-25(5)8-2/h22-23,25-27H,3,7-21H2,1-2,4-6H3/b23-22+
InChIKeyGWZFVTQLTQKNNH-GHVJWSGMSA-N
MW376.71 g/mol
LogP9.90
Rot. Bonds19

About (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene

(E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene (PubChem CID 143234953) has the molecular formula C27H52 and a molecular weight of 376.71 g/mol. Its IUPAC name is (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene.

Molecular Properties

Compound Name(E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene
PubChem CID143234953
Molecular FormulaC27H52
Molecular Weight376.71 g/mol
Exact Mass376.41
IUPAC Name(E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene
SMILESC=C(C)CCCC(/C=C/C(C)CCCCC(C)CC)CCCCCCCC
InChIInChI=1S/C27H52/c1-7-9-10-11-12-13-20-27(21-16-17-24(3)4)23-22-26(6)19-15-14-18-25(5)8-2/h22-23,25-27H,3,7-21H2,1-2,4-6H3/b23-22+
InChIKeyGWZFVTQLTQKNNH-GHVJWSGMSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.71
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,11-dimethylnonadec-1-ene
CID 123484198
2,7-dimethylnon-1-ene
CID 123682074
(3R)-3-methylhexacosane
CID 134824557
hexane;3-methylnonane
CID 173294071
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
(E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine
CID 142974138
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
2,10,11-trimethylicos-1-ene
CID 123857380
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058

Frequently Asked Questions

What is the IUPAC name of (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene?
The IUPAC name of (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene (CID 143234953) is (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene.
What is the SMILES notation for (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene?
The canonical SMILES for (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene is C=C(C)CCCC(/C=C/C(C)CCCCC(C)CC)CCCCCCCC.
What is the InChIKey of (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene?
The InChIKey is GWZFVTQLTQKNNH-GHVJWSGMSA-N. The full InChI is InChI=1S/C27H52/c1-7-9-10-11-12-13-20-27(21-16-17-24(3)4)23-22-26(6)19-15-14-18-25(5)8-2/h22-23,25-27H,3,7-21H2,1-2,4-6H3/b23-22+.
What are the key properties of (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene?
(E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene has a molecular weight of 376.71 g/mol, XLogP of 9.90, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene is sourced from PubChem (CID 143234953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).