2,2-dipropyloxirane

C8H16O — CID 13411011

IUPAC2,2-dipropyloxirane
SMILESCCCC1(CCC)CO1
InChIInChI=1S/C8H16O/c1-3-5-8(6-4-2)7-9-8/h3-7H2,1-2H3
InChIKeyYSJRGADMSFUEEA-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.36
Rot. Bonds4

About 2,2-dipropyloxirane

2,2-dipropyloxirane (PubChem CID 13411011) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2,2-dipropyloxirane.

Molecular Properties

Compound Name2,2-dipropyloxirane
PubChem CID13411011
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2,2-dipropyloxirane
SMILESCCCC1(CCC)CO1
InChIInChI=1S/C8H16O/c1-3-5-8(6-4-2)7-9-8/h3-7H2,1-2H3
InChIKeyYSJRGADMSFUEEA-UHFFFAOYSA-N
XLogP2.36
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Oxirane, 2,2-di-tert-pentyl-
CID 116367
2,2,3-Triethyloxirane
CID 551289
2-Methyl-2-pentyloxirane
CID 559073
2-(2,2-Dimethylbutyl)-2,3-dimethyloxirane
CID 5743701
(2R)-2-methyl-2-pentyloxirane
CID 10080419
2-Methyl-2-nonyloxirane
CID 10932115
Oxirane, 3-butyl-2,2-dimethyl-
CID 10953528
1-Oxaspiro[2.11]tetradecane
CID 11019800
(s)-2-Methyl-heptene oxide
CID 11062413
2-Butyl-2-ethyloxirane
CID 12705294
2-Heptyl-2-methyloxirane
CID 13296202
2,2-Dibutyloxirane
CID 14836302

Frequently Asked Questions

What is the IUPAC name of 2,2-dipropyloxirane?
The IUPAC name of 2,2-dipropyloxirane (CID 13411011) is 2,2-dipropyloxirane.
What is the SMILES notation for 2,2-dipropyloxirane?
The canonical SMILES for 2,2-dipropyloxirane is CCCC1(CCC)CO1.
What is the InChIKey of 2,2-dipropyloxirane?
The InChIKey is YSJRGADMSFUEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-8(6-4-2)7-9-8/h3-7H2,1-2H3.
What are the key properties of 2,2-dipropyloxirane?
2,2-dipropyloxirane has a molecular weight of 128.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipropyloxirane is sourced from PubChem (CID 13411011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).