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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Related Compounds

cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane
CID 123864296
4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane
CID 118401565
(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol
CID 162453236
(1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol
CID 10999003
2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]acetaldehyde
CID 173016577
2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid
CID 54375426
2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol
CID 91389809
(3aS,4R,7R,7aS)-1a,4-dimethyl-7-prop-1-en-2-yl-3,3a,4,5,6,7,7a,7b-octahydro-2H-naphtho[1,2-b]oxirene
CID 134962165

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).