2-(4-methylpentoxymethyl)oxirane

C9H18O2 — CID 20697974

IUPAC2-(4-methylpentoxymethyl)oxirane
SMILESCC(C)CCCOCC1CO1
InChIInChI=1S/C9H18O2/c1-8(2)4-3-5-10-6-9-7-11-9/h8-9H,3-7H2,1-2H3
InChIKeyXKXZHOOYFIPLHF-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds6

About 2-(4-methylpentoxymethyl)oxirane

2-(4-methylpentoxymethyl)oxirane (PubChem CID 20697974) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(4-methylpentoxymethyl)oxirane.

Molecular Properties

Compound Name2-(4-methylpentoxymethyl)oxirane
PubChem CID20697974
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(4-methylpentoxymethyl)oxirane
SMILESCC(C)CCCOCC1CO1
InChIInChI=1S/C9H18O2/c1-8(2)4-3-5-10-6-9-7-11-9/h8-9H,3-7H2,1-2H3
InChIKeyXKXZHOOYFIPLHF-UHFFFAOYSA-N
XLogP1.84
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
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-(4-methylpentoxymethyl)oxirane?
The IUPAC name of 2-(4-methylpentoxymethyl)oxirane (CID 20697974) is 2-(4-methylpentoxymethyl)oxirane.
What is the SMILES notation for 2-(4-methylpentoxymethyl)oxirane?
The canonical SMILES for 2-(4-methylpentoxymethyl)oxirane is CC(C)CCCOCC1CO1.
What is the InChIKey of 2-(4-methylpentoxymethyl)oxirane?
The InChIKey is XKXZHOOYFIPLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2)4-3-5-10-6-9-7-11-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(4-methylpentoxymethyl)oxirane?
2-(4-methylpentoxymethyl)oxirane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentoxymethyl)oxirane is sourced from PubChem (CID 20697974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).