2-[(4-butylcyclohexyl)methyl]oxirane

C13H24O — CID 174838553

IUPAC2-[(4-butylcyclohexyl)methyl]oxirane
SMILESCCCCC1CCC(CC2CO2)CC1
InChIInChI=1S/C13H24O/c1-2-3-4-11-5-7-12(8-6-11)9-13-10-14-13/h11-13H,2-10H2,1H3
InChIKeyYKNVCVDAQBORCC-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.77
Rot. Bonds5

About 2-[(4-butylcyclohexyl)methyl]oxirane

2-[(4-butylcyclohexyl)methyl]oxirane (PubChem CID 174838553) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-[(4-butylcyclohexyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-butylcyclohexyl)methyl]oxirane
PubChem CID174838553
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-[(4-butylcyclohexyl)methyl]oxirane
SMILESCCCCC1CCC(CC2CO2)CC1
InChIInChI=1S/C13H24O/c1-2-3-4-11-5-7-12(8-6-11)9-13-10-14-13/h11-13H,2-10H2,1H3
InChIKeyYKNVCVDAQBORCC-UHFFFAOYSA-N
XLogP3.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane
CID 22281012
hexane;pentylcyclopropane
CID 159592467
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
2-(4-butylcyclohexyl)ethanol
CID 15085164
2-butyloxirane;trimethylsilane
CID 174652516
(2R)-2-pentyloxirane
CID 11147691
azane;hexylcyclopropane
CID 135322230

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylcyclohexyl)methyl]oxirane?
The IUPAC name of 2-[(4-butylcyclohexyl)methyl]oxirane (CID 174838553) is 2-[(4-butylcyclohexyl)methyl]oxirane.
What is the SMILES notation for 2-[(4-butylcyclohexyl)methyl]oxirane?
The canonical SMILES for 2-[(4-butylcyclohexyl)methyl]oxirane is CCCCC1CCC(CC2CO2)CC1.
What is the InChIKey of 2-[(4-butylcyclohexyl)methyl]oxirane?
The InChIKey is YKNVCVDAQBORCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-4-11-5-7-12(8-6-11)9-13-10-14-13/h11-13H,2-10H2,1H3.
What are the key properties of 2-[(4-butylcyclohexyl)methyl]oxirane?
2-[(4-butylcyclohexyl)methyl]oxirane has a molecular weight of 196.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylcyclohexyl)methyl]oxirane is sourced from PubChem (CID 174838553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).