2-methyloxirane;1,1,2-trimethylcyclohexane

C12H24O — CID 20977929

IUPAC2-methyloxirane;1,1,2-trimethylcyclohexane
SMILESCC1CCCCC1(C)C.CC1CO1
InChIInChI=1S/C9H18.C3H6O/c1-8-6-4-5-7-9(8,2)3;1-3-2-4-3/h8H,4-7H2,1-3H3;3H,2H2,1H3
InChIKeyFYHZKYWILIXNIH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds

About 2-methyloxirane;1,1,2-trimethylcyclohexane

2-methyloxirane;1,1,2-trimethylcyclohexane (PubChem CID 20977929) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-methyloxirane;1,1,2-trimethylcyclohexane.

Molecular Properties

Compound Name2-methyloxirane;1,1,2-trimethylcyclohexane
PubChem CID20977929
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-methyloxirane;1,1,2-trimethylcyclohexane
SMILESCC1CCCCC1(C)C.CC1CO1
InChIInChI=1S/C9H18.C3H6O/c1-8-6-4-5-7-9(8,2)3;1-3-2-4-3/h8H,4-7H2,1-3H3;3H,2H2,1H3
InChIKeyFYHZKYWILIXNIH-UHFFFAOYSA-N
XLogP3.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
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

1,1,2-trimethylcycloundecane
CID 544748
methanol;1,1,2-trimethylcyclohexane
CID 70292509
isothiocyanic acid;1,1,2-trimethylcyclohexane
CID 174786251
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
1,1,2,7-tetramethylcyclooctane
CID 141451493
2,4,4,5-tetramethyloxane
CID 142990175
4-methyl-1,2-dioxaspiro[2.5]octane
CID 15728156
CID 173459900
CID 173459900
(9R)-9-methylspiro[3.5]nonane
CID 140885739
1,1,2,8-tetramethylcyclononane
CID 123968014
2,4-dimethyl-1-oxaspiro[2.5]octane
CID 45120446
2-methyloxirane;polane
CID 173240072

Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;1,1,2-trimethylcyclohexane?
The IUPAC name of 2-methyloxirane;1,1,2-trimethylcyclohexane (CID 20977929) is 2-methyloxirane;1,1,2-trimethylcyclohexane.
What is the SMILES notation for 2-methyloxirane;1,1,2-trimethylcyclohexane?
The canonical SMILES for 2-methyloxirane;1,1,2-trimethylcyclohexane is CC1CCCCC1(C)C.CC1CO1.
What is the InChIKey of 2-methyloxirane;1,1,2-trimethylcyclohexane?
The InChIKey is FYHZKYWILIXNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C3H6O/c1-8-6-4-5-7-9(8,2)3;1-3-2-4-3/h8H,4-7H2,1-3H3;3H,2H2,1H3.
What are the key properties of 2-methyloxirane;1,1,2-trimethylcyclohexane?
2-methyloxirane;1,1,2-trimethylcyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;1,1,2-trimethylcyclohexane is sourced from PubChem (CID 20977929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).