2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane

C12H22O — CID 88536116

IUPAC2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane
SMILESCCCCCC1OC1CC1CC1C
InChIInChI=1S/C12H22O/c1-3-4-5-6-11-12(13-11)8-10-7-9(10)2/h9-12H,3-8H2,1-2H3
InChIKeyKAWHYSBGCGDILK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.38
Rot. Bonds6

About 2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane

2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane (PubChem CID 88536116) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane
PubChem CID88536116
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane
SMILESCCCCCC1OC1CC1CC1C
InChIInChI=1S/C12H22O/c1-3-4-5-6-11-12(13-11)8-10-7-9(10)2/h9-12H,3-8H2,1-2H3
InChIKeyKAWHYSBGCGDILK-UHFFFAOYSA-N
XLogP3.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.38
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-[(2-methylcyclopropyl)methyl]-3-pentyloxirane?
The IUPAC name of 2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane (CID 88536116) is 2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane.
What is the SMILES notation for 2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane?
The canonical SMILES for 2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane is CCCCCC1OC1CC1CC1C.
What is the InChIKey of 2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane?
The InChIKey is KAWHYSBGCGDILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-5-6-11-12(13-11)8-10-7-9(10)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane?
2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane has a molecular weight of 182.31 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane is sourced from PubChem (CID 88536116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).