2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane

C12H20O — CID 20644999

IUPAC2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane
SMILESC=C1CC(C)(C2(C)CO2)C(C)C1C
InChIInChI=1S/C12H20O/c1-8-6-11(4,10(3)9(8)2)12(5)7-13-12/h9-10H,1,6-7H2,2-5H3
InChIKeyOSTMOHDCMRRNOC-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.01
Rot. Bonds1

About 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane

2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane (PubChem CID 20644999) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane
PubChem CID20644999
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane
SMILESC=C1CC(C)(C2(C)CO2)C(C)C1C
InChIInChI=1S/C12H20O/c1-8-6-11(4,10(3)9(8)2)12(5)7-13-12/h9-10H,1,6-7H2,2-5H3
InChIKeyOSTMOHDCMRRNOC-UHFFFAOYSA-N
XLogP3.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.01
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'}

Analyze 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2S)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
CID 59110765
(1R)-1,2,3-trimethyl-4-methylidenecyclopentane-1-carboxylic acid
CID 54380301
4,6a-dimethyl-5-methylidene-3,3a,4,6-tetrahydro-1H-pentalen-2-one
CID 20645018
(5S,8R,9S)-1,2,8,9-tetramethyl-7-methylidenespiro[4.4]nonane-4-thione
CID 54519666
5,5,6-trimethyl-2-methylidene-1,3-dioxepane
CID 169323690
7-methyl-1,4-dioxaspiro[2.4]heptan-5-one
CID 535523
2-[(2,3,4,4-tetramethyl-6-methylidenecyclohexyl)methyl]furan
CID 145155045
CID 102491516
CID 102491516
(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-5-methylidene-2-oxabicyclo[2.2.1]heptane
CID 59638521
1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane
CID 123498475
(2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane
CID 134597179
2,2,6-trimethyl-5-methylidenecyclohexane-1,4-dione
CID 135170604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane?
The IUPAC name of 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane (CID 20644999) is 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane.
What is the SMILES notation for 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane?
The canonical SMILES for 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane is C=C1CC(C)(C2(C)CO2)C(C)C1C.
What is the InChIKey of 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane?
The InChIKey is OSTMOHDCMRRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-8-6-11(4,10(3)9(8)2)12(5)7-13-12/h9-10H,1,6-7H2,2-5H3.
What are the key properties of 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane?
2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane has a molecular weight of 180.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,2,3-trimethyl-4-methylidenecyclopentyl)oxirane is sourced from PubChem (CID 20644999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).