2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane

C13H22O — CID 121004169

IUPAC2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane
SMILESC=C(C)C1CCC(C)CC1C1(C)CO1
InChIInChI=1S/C13H22O/c1-9(2)11-6-5-10(3)7-12(11)13(4)8-14-13/h10-12H,1,5-8H2,2-4H3
InChIKeyVWUCIGRCIQBXNW-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.40
Rot. Bonds2

About 2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane

2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane (PubChem CID 121004169) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane
PubChem CID121004169
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane
SMILESC=C(C)C1CCC(C)CC1C1(C)CO1
InChIInChI=1S/C13H22O/c1-9(2)11-6-5-10(3)7-12(11)13(4)8-14-13/h10-12H,1,5-8H2,2-4H3
InChIKeyVWUCIGRCIQBXNW-UHFFFAOYSA-N
XLogP3.40
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane?
The IUPAC name of 2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane (CID 121004169) is 2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane.
What is the SMILES notation for 2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane?
The canonical SMILES for 2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane is C=C(C)C1CCC(C)CC1C1(C)CO1.
What is the InChIKey of 2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane?
The InChIKey is VWUCIGRCIQBXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9(2)11-6-5-10(3)7-12(11)13(4)8-14-13/h10-12H,1,5-8H2,2-4H3.
What are the key properties of 2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane?
2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane has a molecular weight of 194.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)oxirane is sourced from PubChem (CID 121004169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).