2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane

C15H26O2 — CID 126591301

IUPAC2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane
SMILESCOC1CCCCC1C1(C)OC1CC=C(C)C
InChIInChI=1S/C15H26O2/c1-11(2)9-10-14-15(3,17-14)12-7-5-6-8-13(12)16-4/h9,12-14H,5-8,10H2,1-4H3
InChIKeyGOLZLBYIOWSQDL-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.71
Rot. Bonds4

About 2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane

2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane (PubChem CID 126591301) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane.

Molecular Properties

Compound Name2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane
PubChem CID126591301
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane
SMILESCOC1CCCCC1C1(C)OC1CC=C(C)C
InChIInChI=1S/C15H26O2/c1-11(2)9-10-14-15(3,17-14)12-7-5-6-8-13(12)16-4/h9,12-14H,5-8,10H2,1-4H3
InChIKeyGOLZLBYIOWSQDL-UHFFFAOYSA-N
XLogP3.71
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane?
The IUPAC name of 2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane (CID 126591301) is 2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane.
What is the SMILES notation for 2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane?
The canonical SMILES for 2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane is COC1CCCCC1C1(C)OC1CC=C(C)C.
What is the InChIKey of 2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane?
The InChIKey is GOLZLBYIOWSQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)9-10-14-15(3,17-14)12-7-5-6-8-13(12)16-4/h9,12-14H,5-8,10H2,1-4H3.
What are the key properties of 2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane?
2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane has a molecular weight of 238.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane is sourced from PubChem (CID 126591301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).