2-decan-4-yl-3-methyloxirane

C13H26O — CID 88790238

IUPAC2-decan-4-yl-3-methyloxirane
SMILESCCCCCCC(CCC)C1OC1C
InChIInChI=1S/C13H26O/c1-4-6-7-8-10-12(9-5-2)13-11(3)14-13/h11-13H,4-10H2,1-3H3
InChIKeyRORACENCEOHFEN-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.16
Rot. Bonds8

About 2-decan-4-yl-3-methyloxirane

2-decan-4-yl-3-methyloxirane (PubChem CID 88790238) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-decan-4-yl-3-methyloxirane.

Molecular Properties

Compound Name2-decan-4-yl-3-methyloxirane
PubChem CID88790238
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-decan-4-yl-3-methyloxirane
SMILESCCCCCCC(CCC)C1OC1C
InChIInChI=1S/C13H26O/c1-4-6-7-8-10-12(9-5-2)13-11(3)14-13/h11-13H,4-10H2,1-3H3
InChIKeyRORACENCEOHFEN-UHFFFAOYSA-N
XLogP4.16
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.16
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

1-[(2S,3S)-3-methyloxiran-2-yl]heptan-1-ol
CID 101093236
(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol
CID 134492565
8-hexyl-7-propyltriacontane
CID 21490607
4,5-dipropyltetradecane
CID 21490606
7,8-dipropyltetradecane
CID 530307
(3S)-2-hexyl-3-methyloxirane
CID 22212703
(3S)-2-heptyl-3-methyloxirane
CID 22212077
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
CID 10419307
2-decan-4-yl-1,4-dimethylcyclohexane
CID 123729165

Frequently Asked Questions

What is the IUPAC name of 2-decan-4-yl-3-methyloxirane?
The IUPAC name of 2-decan-4-yl-3-methyloxirane (CID 88790238) is 2-decan-4-yl-3-methyloxirane.
What is the SMILES notation for 2-decan-4-yl-3-methyloxirane?
The canonical SMILES for 2-decan-4-yl-3-methyloxirane is CCCCCCC(CCC)C1OC1C.
What is the InChIKey of 2-decan-4-yl-3-methyloxirane?
The InChIKey is RORACENCEOHFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-6-7-8-10-12(9-5-2)13-11(3)14-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-decan-4-yl-3-methyloxirane?
2-decan-4-yl-3-methyloxirane has a molecular weight of 198.35 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-4-yl-3-methyloxirane is sourced from PubChem (CID 88790238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).