1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane

C12H23BrO — CID 65001026

IUPAC1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane
SMILESCC(C)CCOCC1(CBr)CCCC1
InChIInChI=1S/C12H23BrO/c1-11(2)5-8-14-10-12(9-13)6-3-4-7-12/h11H,3-10H2,1-2H3
InChIKeyJKUPBPRFYUZPDE-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.00
Rot. Bonds6

About 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane

1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane (PubChem CID 65001026) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane
PubChem CID65001026
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane
SMILESCC(C)CCOCC1(CBr)CCCC1
InChIInChI=1S/C12H23BrO/c1-11(2)5-8-14-10-12(9-13)6-3-4-7-12/h11H,3-10H2,1-2H3
InChIKeyJKUPBPRFYUZPDE-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-Bromo-2-methylpropan-2-yl)oxane
CID 165474778
1-(Bromomethyl)-1-(methoxymethyl)cyclopentane
CID 65000973
1-(Bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane
CID 82787746
1-(Bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopentane
CID 82954281
1-(6-Bromohexoxy)-3-ethylpentane
CID 19987554
2-(6-Bromohexoxy)ethylcyclopentane
CID 19987558
1-(6-Bromohexoxy)-4,4-dimethylpentane
CID 19987564
3-(4-Bromobutoxymethyl)heptane
CID 43165212
4-(Bromomethyl)-4-propyloxane
CID 66049736
1-Bromo-5-ethoxy-2,3,3-trimethylhexane
CID 88929409
1-(4-Bromobutoxy)-3,5,5-trimethylhexane
CID 139648516
1-(4-Bromobutoxy)-2,4,4-trimethylpentane
CID 139648573

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane (CID 65001026) is 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane is CC(C)CCOCC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane?
The InChIKey is JKUPBPRFYUZPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-11(2)5-8-14-10-12(9-13)6-3-4-7-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane?
1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane has a molecular weight of 263.22 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(3-methylbutoxymethyl)cyclopentane is sourced from PubChem (CID 65001026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).