2-(heptoxymethyl)oxirane

C10H20O2 — CID 5074764

IUPAC2-(heptoxymethyl)oxirane
SMILESCCCCCCCOCC1CO1
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-11-8-10-9-12-10/h10H,2-9H2,1H3
InChIKeyINSCMIFABOJDRE-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds8

About 2-(heptoxymethyl)oxirane

2-(heptoxymethyl)oxirane (PubChem CID 5074764) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(heptoxymethyl)oxirane.

Molecular Properties

Compound Name2-(heptoxymethyl)oxirane
PubChem CID5074764
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(heptoxymethyl)oxirane
SMILESCCCCCCCOCC1CO1
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-11-8-10-9-12-10/h10H,2-9H2,1H3
InChIKeyINSCMIFABOJDRE-UHFFFAOYSA-N
XLogP2.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(heptoxymethyl)oxirane?
The IUPAC name of 2-(heptoxymethyl)oxirane (CID 5074764) is 2-(heptoxymethyl)oxirane.
What is the SMILES notation for 2-(heptoxymethyl)oxirane?
The canonical SMILES for 2-(heptoxymethyl)oxirane is CCCCCCCOCC1CO1.
What is the InChIKey of 2-(heptoxymethyl)oxirane?
The InChIKey is INSCMIFABOJDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-5-6-7-11-8-10-9-12-10/h10H,2-9H2,1H3.
What are the key properties of 2-(heptoxymethyl)oxirane?
2-(heptoxymethyl)oxirane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptoxymethyl)oxirane is sourced from PubChem (CID 5074764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).