2-(1-butylcyclohexyl)oxirene

C12H20O — CID 174780597

IUPAC2-(1-butylcyclohexyl)oxirene
SMILESCCCCC1(C2=CO2)CCCCC1
InChIInChI=1S/C12H20O/c1-2-3-7-12(11-10-13-11)8-5-4-6-9-12/h10H,2-9H2,1H3
InChIKeyPRUXTRFRLNPUDD-UHFFFAOYSA-N
MW180.29 g/mol
LogP4.00
Rot. Bonds4

About 2-(1-butylcyclohexyl)oxirene

2-(1-butylcyclohexyl)oxirene (PubChem CID 174780597) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(1-butylcyclohexyl)oxirene.

Molecular Properties

Compound Name2-(1-butylcyclohexyl)oxirene
PubChem CID174780597
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(1-butylcyclohexyl)oxirene
SMILESCCCCC1(C2=CO2)CCCCC1
InChIInChI=1S/C12H20O/c1-2-3-7-12(11-10-13-11)8-5-4-6-9-12/h10H,2-9H2,1H3
InChIKeyPRUXTRFRLNPUDD-UHFFFAOYSA-N
XLogP4.00
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butylcyclohexyl)oxirene?
The IUPAC name of 2-(1-butylcyclohexyl)oxirene (CID 174780597) is 2-(1-butylcyclohexyl)oxirene.
What is the SMILES notation for 2-(1-butylcyclohexyl)oxirene?
The canonical SMILES for 2-(1-butylcyclohexyl)oxirene is CCCCC1(C2=CO2)CCCCC1.
What is the InChIKey of 2-(1-butylcyclohexyl)oxirene?
The InChIKey is PRUXTRFRLNPUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-7-12(11-10-13-11)8-5-4-6-9-12/h10H,2-9H2,1H3.
What are the key properties of 2-(1-butylcyclohexyl)oxirene?
2-(1-butylcyclohexyl)oxirene has a molecular weight of 180.29 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylcyclohexyl)oxirene is sourced from PubChem (CID 174780597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).