4-ethenyl-4,5-dimethoxytridecane

C17H34O2 — CID 158070390

IUPAC4-ethenyl-4,5-dimethoxytridecane
SMILESC=CC(CCC)(OC)C(CCCCCCCC)OC
InChIInChI=1S/C17H34O2/c1-6-9-10-11-12-13-14-16(18-4)17(8-3,19-5)15-7-2/h8,16H,3,6-7,9-15H2,1-2,4-5H3
InChIKeyFLTDKGQZGPTWAI-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.12
Rot. Bonds13

About 4-ethenyl-4,5-dimethoxytridecane

4-ethenyl-4,5-dimethoxytridecane (PubChem CID 158070390) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-ethenyl-4,5-dimethoxytridecane.

Molecular Properties

Compound Name4-ethenyl-4,5-dimethoxytridecane
PubChem CID158070390
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name4-ethenyl-4,5-dimethoxytridecane
SMILESC=CC(CCC)(OC)C(CCCCCCCC)OC
InChIInChI=1S/C17H34O2/c1-6-9-10-11-12-13-14-16(18-4)17(8-3,19-5)15-7-2/h8,16H,3,6-7,9-15H2,1-2,4-5H3
InChIKeyFLTDKGQZGPTWAI-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

CID 18425047
CID 18425047
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9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
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3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
3-methoxynon-1-ene
CID 12563924
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
CID 10354987
4,4-dimethoxy-5-propyltridecane
CID 151317508
(9R,10R)-10-ethenyl-9-methoxynonadecane
CID 102492829
11-decyl-12-ethenyl-11-propyldocosane
CID 150010749
4-(1,1,1,2-tetramethoxypentan-2-yl)undec-1-en-3-one
CID 152681291
1,1,1,2-tetramethoxydecane;4-(triethoxymethyl)dodecane
CID 159659931
1,1-dimethoxytetradecane
CID 13265409

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4,5-dimethoxytridecane?
The IUPAC name of 4-ethenyl-4,5-dimethoxytridecane (CID 158070390) is 4-ethenyl-4,5-dimethoxytridecane.
What is the SMILES notation for 4-ethenyl-4,5-dimethoxytridecane?
The canonical SMILES for 4-ethenyl-4,5-dimethoxytridecane is C=CC(CCC)(OC)C(CCCCCCCC)OC.
What is the InChIKey of 4-ethenyl-4,5-dimethoxytridecane?
The InChIKey is FLTDKGQZGPTWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-6-9-10-11-12-13-14-16(18-4)17(8-3,19-5)15-7-2/h8,16H,3,6-7,9-15H2,1-2,4-5H3.
What are the key properties of 4-ethenyl-4,5-dimethoxytridecane?
4-ethenyl-4,5-dimethoxytridecane has a molecular weight of 270.46 g/mol, XLogP of 5.12, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4,5-dimethoxytridecane is sourced from PubChem (CID 158070390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).