2-heptyl-2-methyloxirane

C10H20O — CID 13296202

IUPAC2-heptyl-2-methyloxirane
SMILESCCCCCCCC1(C)CO1
InChIInChI=1S/C10H20O/c1-3-4-5-6-7-8-10(2)9-11-10/h3-9H2,1-2H3
InChIKeyNWUFFHCAVDQKNN-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.14
Rot. Bonds6

About 2-heptyl-2-methyloxirane

2-heptyl-2-methyloxirane (PubChem CID 13296202) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-heptyl-2-methyloxirane.

Molecular Properties

Compound Name2-heptyl-2-methyloxirane
PubChem CID13296202
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-heptyl-2-methyloxirane
SMILESCCCCCCCC1(C)CO1
InChIInChI=1S/C10H20O/c1-3-4-5-6-7-8-10(2)9-11-10/h3-9H2,1-2H3
InChIKeyNWUFFHCAVDQKNN-UHFFFAOYSA-N
XLogP3.14
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2-methyloxirane?
The IUPAC name of 2-heptyl-2-methyloxirane (CID 13296202) is 2-heptyl-2-methyloxirane.
What is the SMILES notation for 2-heptyl-2-methyloxirane?
The canonical SMILES for 2-heptyl-2-methyloxirane is CCCCCCCC1(C)CO1.
What is the InChIKey of 2-heptyl-2-methyloxirane?
The InChIKey is NWUFFHCAVDQKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-4-5-6-7-8-10(2)9-11-10/h3-9H2,1-2H3.
What are the key properties of 2-heptyl-2-methyloxirane?
2-heptyl-2-methyloxirane has a molecular weight of 156.27 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2-methyloxirane is sourced from PubChem (CID 13296202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).