3-[4-(3-bromopropoxy)butyl]-3-methyloxetane

C11H21BrO2 — CID 18761016

IUPAC3-[4-(3-bromopropoxy)butyl]-3-methyloxetane
SMILESCC1(CCCCOCCCBr)COC1
InChIInChI=1S/C11H21BrO2/c1-11(9-14-10-11)5-2-3-7-13-8-4-6-12/h2-10H2,1H3
InChIKeyBOXDRYJKAJQBSL-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.99
Rot. Bonds8

About 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane

3-[4-(3-bromopropoxy)butyl]-3-methyloxetane (PubChem CID 18761016) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[4-(3-bromopropoxy)butyl]-3-methyloxetane
PubChem CID18761016
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name3-[4-(3-bromopropoxy)butyl]-3-methyloxetane
SMILESCC1(CCCCOCCCBr)COC1
InChIInChI=1S/C11H21BrO2/c1-11(9-14-10-11)5-2-3-7-13-8-4-6-12/h2-10H2,1H3
InChIKeyBOXDRYJKAJQBSL-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-{[(6-Bromohexyl)oxy]methyl}-3-methyloxetane
CID 14434631
1-(6-Bromohexoxy)-4,4-dimethylpentane
CID 19987564
3-{[(6-Bromohexyl)oxy]methyl}-3-ethyloxetane
CID 59207310
3-(8-Bromooctoxymethyl)-3-ethyloxetane
CID 59711298
1-(4-Bromobutoxy)-3,5,5-trimethylhexane
CID 139648516
3-(Bromomethyl)-3-butyloxetane
CID 140046497
3-(1-Bromohexoxymethyl)-3-methyloxetane
CID 145760395
3-(Bromomethyl)-3-(2-methylbutyl)oxetane
CID 156564010
4-Bromo-1-methoxy-5,5-dimethylhexane
CID 61733513
4-Bromo-1-ethoxy-5,5-dimethylhexane
CID 61733718
4-Bromo-5,5-dimethyl-1-propan-2-yloxyhexane
CID 61733926
4-Bromo-1-butoxy-5,5-dimethylhexane
CID 61733928

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane?
The IUPAC name of 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane (CID 18761016) is 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane.
What is the SMILES notation for 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane?
The canonical SMILES for 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane is CC1(CCCCOCCCBr)COC1.
What is the InChIKey of 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane?
The InChIKey is BOXDRYJKAJQBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-11(9-14-10-11)5-2-3-7-13-8-4-6-12/h2-10H2,1H3.
What are the key properties of 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane?
3-[4-(3-bromopropoxy)butyl]-3-methyloxetane has a molecular weight of 265.19 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-bromopropoxy)butyl]-3-methyloxetane is sourced from PubChem (CID 18761016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).