2-(3,3-dimethylbutoxy)-3-methyloxirane

C9H18O2 — CID 91327562

IUPAC2-(3,3-dimethylbutoxy)-3-methyloxirane
SMILESCC1OC1OCCC(C)(C)C
InChIInChI=1S/C9H18O2/c1-7-8(11-7)10-6-5-9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyRSIRLUJYVNQHJL-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.18
Rot. Bonds3

About 2-(3,3-dimethylbutoxy)-3-methyloxirane

2-(3,3-dimethylbutoxy)-3-methyloxirane (PubChem CID 91327562) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-3-methyloxirane.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-3-methyloxirane
PubChem CID91327562
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(3,3-dimethylbutoxy)-3-methyloxirane
SMILESCC1OC1OCCC(C)(C)C
InChIInChI=1S/C9H18O2/c1-7-8(11-7)10-6-5-9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyRSIRLUJYVNQHJL-UHFFFAOYSA-N
XLogP2.18
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-3-methyloxirane
CID 87674208
2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane
CID 158078208
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
(3R,3aR,6S,6aS)-6-(3,3-dimethylbutoxy)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163610211
(3R,4S,5S,6R)-2-(4,4-dimethylpentoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58618503
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1-(3-methyloxiran-2-yl)oxypropan-2-one
CID 123394854
2,5-dimethyl-3,6-bis(prop-2-ynoxy)-1,4-dioxane
CID 71323072
3,3-dimethyl-1-sulfanyloxybutane
CID 140639628
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
3-[2-(3,3-dimethylbutoxy)-2-methylpropyl]oxiran-2-amine
CID 155444682
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-3-methyloxirane?
The IUPAC name of 2-(3,3-dimethylbutoxy)-3-methyloxirane (CID 91327562) is 2-(3,3-dimethylbutoxy)-3-methyloxirane.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-3-methyloxirane?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-3-methyloxirane is CC1OC1OCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-3-methyloxirane?
The InChIKey is RSIRLUJYVNQHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7-8(11-7)10-6-5-9(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-3-methyloxirane?
2-(3,3-dimethylbutoxy)-3-methyloxirane has a molecular weight of 158.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-3-methyloxirane is sourced from PubChem (CID 91327562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).