1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane

C20H40O2 — CID 158162531

IUPAC1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane
SMILESCC1(C)CC1.CC1(C)CO1.CCC1(C)CC1.CCC1(C)CO1
InChIInChI=1S/C6H12.C5H10O.C5H10.C4H8O/c1-3-6(2)4-5-6;1-3-5(2)4-6-5;1-5(2)3-4-5;1-4(2)3-5-4/h3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyFWLIVAGRKKQLKF-UHFFFAOYSA-N
MW312.54 g/mol
LogP5.98
Rot. Bonds2

About 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane

1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane (PubChem CID 158162531) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane.

Molecular Properties

Compound Name1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane
PubChem CID158162531
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane
SMILESCC1(C)CC1.CC1(C)CO1.CCC1(C)CC1.CCC1(C)CO1
InChIInChI=1S/C6H12.C5H10O.C5H10.C4H8O/c1-3-6(2)4-5-6;1-3-5(2)4-6-5;1-5(2)3-4-5;1-4(2)3-5-4/h3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyFWLIVAGRKKQLKF-UHFFFAOYSA-N
XLogP5.98
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane with MolForge

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Related Compounds

1,1-dimethylcyclopropane;1-ethyl-1-methylcyclopropane
CID 143562468
4-ethyl-4-methylcyclohexane-1-thiol
CID 148627567
4-ethyl-4-methylthiane
CID 59452376
2-ethyl-2-methyl-1,4-dioxane
CID 21332866
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
ethane;(4-ethyl-4-methylcyclohexyl)methanamine
CID 143414681
1-ethyl-1,4-dimethylcycloheptane
CID 91266372
2,2-dimethyloxirane;methanol
CID 161373463
2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane
CID 114340893
2,2-diethyl-5,5-dimethyl-1,3-dioxane
CID 15146979
1-ethyl-1-methylcyclohexane;molecular hydrogen
CID 143091347
(2S)-2-ethyl-2-methyl-3-oxa-1-azaspiro[4.5]decane
CID 138970009

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane?
The IUPAC name of 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane (CID 158162531) is 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane.
What is the SMILES notation for 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane?
The canonical SMILES for 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane is CC1(C)CC1.CC1(C)CO1.CCC1(C)CC1.CCC1(C)CO1.
What is the InChIKey of 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane?
The InChIKey is FWLIVAGRKKQLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H10O.C5H10.C4H8O/c1-3-6(2)4-5-6;1-3-5(2)4-6-5;1-5(2)3-4-5;1-4(2)3-5-4/h3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane?
1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane has a molecular weight of 312.54 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane is sourced from PubChem (CID 158162531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).