3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane

C14H23BrO — CID 104510698

IUPAC3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane
SMILESBrCC1(CC2CCCC2)CCOC1C1CC1
InChIInChI=1S/C14H23BrO/c15-10-14(9-11-3-1-2-4-11)7-8-16-13(14)12-5-6-12/h11-13H,1-10H2
InChIKeyORVRNVSFGIGXPI-UHFFFAOYSA-N
MW287.24 g/mol
LogP4.15
Rot. Bonds4

About 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane

3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane (PubChem CID 104510698) has the molecular formula C14H23BrO and a molecular weight of 287.24 g/mol. Its IUPAC name is 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane.

Molecular Properties

Compound Name3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane
PubChem CID104510698
Molecular FormulaC14H23BrO
Molecular Weight287.24 g/mol
Exact Mass286.09
IUPAC Name3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane
SMILESBrCC1(CC2CCCC2)CCOC1C1CC1
InChIInChI=1S/C14H23BrO/c15-10-14(9-11-3-1-2-4-11)7-8-16-13(14)12-5-6-12/h11-13H,1-10H2
InChIKeyORVRNVSFGIGXPI-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902363
N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510178
3-(cyclohexylmethyl)-2-cyclopropyloxolan-3-amine
CID 104510320
3-(bromomethyl)-2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolane
CID 104510783
3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane
CID 104510773
3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane
CID 104510672
3-(bromomethyl)-2-cyclopropyl-3-[(3-methylphenyl)methyl]oxolane
CID 104510696
3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane
CID 107310849
3-(bromomethyl)-2-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]oxolane
CID 104510710
3-[(4-bromo-2-chlorophenyl)methyl]-3-(bromomethyl)-2-cyclopropyloxolane
CID 113471676
4-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-methyltriazole
CID 107058291
[1-(bromomethyl)-2-methylcyclopropyl]methylcyclopentane
CID 165445764

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane?
The IUPAC name of 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane (CID 104510698) is 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane.
What is the SMILES notation for 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane?
The canonical SMILES for 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane is BrCC1(CC2CCCC2)CCOC1C1CC1.
What is the InChIKey of 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane?
The InChIKey is ORVRNVSFGIGXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrO/c15-10-14(9-11-3-1-2-4-11)7-8-16-13(14)12-5-6-12/h11-13H,1-10H2.
What are the key properties of 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane?
3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane has a molecular weight of 287.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane is sourced from PubChem (CID 104510698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).