2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane

C12H21BrO2 — CID 66344041

IUPAC2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane
SMILESCCC1(C)C(Br)CC1OCC1CCCO1
InChIInChI=1S/C12H21BrO2/c1-3-12(2)10(13)7-11(12)15-8-9-5-4-6-14-9/h9-11H,3-8H2,1-2H3
InChIKeyCMOGFGSZHCDLAH-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.13
Rot. Bonds4

About 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane

2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane (PubChem CID 66344041) has the molecular formula C12H21BrO2 and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane.

Molecular Properties

Compound Name2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane
PubChem CID66344041
Molecular FormulaC12H21BrO2
Molecular Weight277.20 g/mol
Exact Mass276.07
IUPAC Name2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane
SMILESCCC1(C)C(Br)CC1OCC1CCCO1
InChIInChI=1S/C12H21BrO2/c1-3-12(2)10(13)7-11(12)15-8-9-5-4-6-14-9/h9-11H,3-8H2,1-2H3
InChIKeyCMOGFGSZHCDLAH-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxane
CID 66345728
2-[(3-bromospiro[3.4]octan-1-yl)oxymethyl]oxolane
CID 66343412
2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane
CID 66343413
2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane
CID 66343624
3-(oxolan-2-ylmethoxy)spiro[3.6]decan-1-ol
CID 66368745
1-(oxolan-2-ylmethoxy)spiro[3.6]decan-3-one
CID 66368660
oxolan-2-ylmethyl hypochlorite
CID 22491519
3-(oxolan-2-ylmethoxy)cyclopentan-1-one
CID 79643554
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
2-ethoxy-N-methyl-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104676182
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445
ethane;oxolan-2-ylmethoxythallium
CID 142985824

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane?
The IUPAC name of 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane (CID 66344041) is 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane.
What is the SMILES notation for 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane?
The canonical SMILES for 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane is CCC1(C)C(Br)CC1OCC1CCCO1.
What is the InChIKey of 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane?
The InChIKey is CMOGFGSZHCDLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO2/c1-3-12(2)10(13)7-11(12)15-8-9-5-4-6-14-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane?
2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane has a molecular weight of 277.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane is sourced from PubChem (CID 66344041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).