2-(2,3-dimethyltridecyl)oxirane

C17H34O — CID 56626269

IUPAC2-(2,3-dimethyltridecyl)oxirane
SMILESCCCCCCCCCCC(C)C(C)CC1CO1
InChIInChI=1S/C17H34O/c1-4-5-6-7-8-9-10-11-12-15(2)16(3)13-17-14-18-17/h15-17H,4-14H2,1-3H3
InChIKeyPXPHQFZICXYHST-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.58
Rot. Bonds12

About 2-(2,3-dimethyltridecyl)oxirane

2-(2,3-dimethyltridecyl)oxirane (PubChem CID 56626269) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-(2,3-dimethyltridecyl)oxirane.

Molecular Properties

Compound Name2-(2,3-dimethyltridecyl)oxirane
PubChem CID56626269
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name2-(2,3-dimethyltridecyl)oxirane
SMILESCCCCCCCCCCC(C)C(C)CC1CO1
InChIInChI=1S/C17H34O/c1-4-5-6-7-8-9-10-11-12-15(2)16(3)13-17-14-18-17/h15-17H,4-14H2,1-3H3
InChIKeyPXPHQFZICXYHST-UHFFFAOYSA-N
XLogP5.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylhexadecyl)oxirane
CID 174869726
11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
(2R)-1-[(2R)-oxiran-2-yl]heptan-2-ol
CID 129387071
N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine
CID 19003491
2-(2-methylhexyl)oxirane
CID 91241308
N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine;hydrobromide
CID 174053587
N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide
CID 173173918
2-(icosan-9-yloxymethyl)oxirane
CID 19926010

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyltridecyl)oxirane?
The IUPAC name of 2-(2,3-dimethyltridecyl)oxirane (CID 56626269) is 2-(2,3-dimethyltridecyl)oxirane.
What is the SMILES notation for 2-(2,3-dimethyltridecyl)oxirane?
The canonical SMILES for 2-(2,3-dimethyltridecyl)oxirane is CCCCCCCCCCC(C)C(C)CC1CO1.
What is the InChIKey of 2-(2,3-dimethyltridecyl)oxirane?
The InChIKey is PXPHQFZICXYHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-4-5-6-7-8-9-10-11-12-15(2)16(3)13-17-14-18-17/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-(2,3-dimethyltridecyl)oxirane?
2-(2,3-dimethyltridecyl)oxirane has a molecular weight of 254.46 g/mol, XLogP of 5.58, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyltridecyl)oxirane is sourced from PubChem (CID 56626269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).