2-(1-cyclohexyloxy-3-methylbutyl)oxirane

C13H24O2 — CID 91595154

IUPAC2-(1-cyclohexyloxy-3-methylbutyl)oxirane
SMILESCC(C)CC(OC1CCCCC1)C1CO1
InChIInChI=1S/C13H24O2/c1-10(2)8-12(13-9-14-13)15-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3
InChIKeyGLXURYLYSNDBIO-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.15
Rot. Bonds5

About 2-(1-cyclohexyloxy-3-methylbutyl)oxirane

2-(1-cyclohexyloxy-3-methylbutyl)oxirane (PubChem CID 91595154) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(1-cyclohexyloxy-3-methylbutyl)oxirane.

Molecular Properties

Compound Name2-(1-cyclohexyloxy-3-methylbutyl)oxirane
PubChem CID91595154
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(1-cyclohexyloxy-3-methylbutyl)oxirane
SMILESCC(C)CC(OC1CCCCC1)C1CO1
InChIInChI=1S/C13H24O2/c1-10(2)8-12(13-9-14-13)15-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3
InChIKeyGLXURYLYSNDBIO-UHFFFAOYSA-N
XLogP3.15
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
CID 20788615
3-cyclohexyloxy-2-hydroxy-5-methylhexanamide
CID 134349565
3-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178
[3-methyl-1-(oxiran-2-yl)butyl] oxiran-2-ylmethyl hydrogen phosphate
CID 152642645
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
1-(1-cyclohexyloxypropan-2-yloxy)propan-2-yloxycyclohexane
CID 139806384
1-propan-2-yloxyethoxycycloundecane
CID 21496393
2-[2-methoxy-1-(oxiran-2-yl)ethoxy]oxane
CID 177274035
(2S)-2-(2-cycloheptyloxypropanoylamino)-4-methylpentanoic acid
CID 119360863
2-cycloheptyl-4-methylpentanoic acid
CID 82928774

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyloxy-3-methylbutyl)oxirane?
The IUPAC name of 2-(1-cyclohexyloxy-3-methylbutyl)oxirane (CID 91595154) is 2-(1-cyclohexyloxy-3-methylbutyl)oxirane.
What is the SMILES notation for 2-(1-cyclohexyloxy-3-methylbutyl)oxirane?
The canonical SMILES for 2-(1-cyclohexyloxy-3-methylbutyl)oxirane is CC(C)CC(OC1CCCCC1)C1CO1.
What is the InChIKey of 2-(1-cyclohexyloxy-3-methylbutyl)oxirane?
The InChIKey is GLXURYLYSNDBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)8-12(13-9-14-13)15-11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-(1-cyclohexyloxy-3-methylbutyl)oxirane?
2-(1-cyclohexyloxy-3-methylbutyl)oxirane has a molecular weight of 212.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyloxy-3-methylbutyl)oxirane is sourced from PubChem (CID 91595154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).