2-methyl-2-pentyloxirane

C8H16O — CID 559073

IUPAC2-methyl-2-pentyloxirane
SMILESCCCCCC1(C)CO1
InChIInChI=1S/C8H16O/c1-3-4-5-6-8(2)7-9-8/h3-7H2,1-2H3
InChIKeySMSAOBIPMBKJOU-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.36
Rot. Bonds4

About 2-methyl-2-pentyloxirane

2-methyl-2-pentyloxirane (PubChem CID 559073) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-methyl-2-pentyloxirane.

Molecular Properties

Compound Name2-methyl-2-pentyloxirane
PubChem CID559073
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2-methyl-2-pentyloxirane
SMILESCCCCCC1(C)CO1
InChIInChI=1S/C8H16O/c1-3-4-5-6-8(2)7-9-8/h3-7H2,1-2H3
InChIKeySMSAOBIPMBKJOU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-2-pentyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
CID 59339950
2-methyl-2-nonadecyloxirane;phosphoric acid
CID 87754305
2-methyl-2-octadecyl-1,4-dioxane
CID 150538207
2-hexadecyl-2-tetradecyloxirane
CID 71421731
(2S)-2-(3-bromopropyl)-2-methyloxirane
CID 102064585
2-heptyl-2-methyloxolane
CID 66630336
4-methyl-1-pentyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 13123202
2-hexyl-2-methyloxane
CID 67835603
4-methyl-1-octadecyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 129036209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pentyloxirane?
The IUPAC name of 2-methyl-2-pentyloxirane (CID 559073) is 2-methyl-2-pentyloxirane.
What is the SMILES notation for 2-methyl-2-pentyloxirane?
The canonical SMILES for 2-methyl-2-pentyloxirane is CCCCCC1(C)CO1.
What is the InChIKey of 2-methyl-2-pentyloxirane?
The InChIKey is SMSAOBIPMBKJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-5-6-8(2)7-9-8/h3-7H2,1-2H3.
What are the key properties of 2-methyl-2-pentyloxirane?
2-methyl-2-pentyloxirane 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-methyl-2-pentyloxirane is sourced from PubChem (CID 559073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).