2-[2-(3-bromocyclohexyl)ethyl]oxolane

C12H21BrO — CID 65165148

IUPAC2-[2-(3-bromocyclohexyl)ethyl]oxolane
SMILESBrC1CCCC(CCC2CCCO2)C1
InChIInChI=1S/C12H21BrO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h10-12H,1-9H2
InChIKeyUVFOBZGHNNGQTP-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.90
Rot. Bonds3

About 2-[2-(3-bromocyclohexyl)ethyl]oxolane

2-[2-(3-bromocyclohexyl)ethyl]oxolane (PubChem CID 65165148) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-[2-(3-bromocyclohexyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(3-bromocyclohexyl)ethyl]oxolane
PubChem CID65165148
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name2-[2-(3-bromocyclohexyl)ethyl]oxolane
SMILESBrC1CCCC(CCC2CCCO2)C1
InChIInChI=1S/C12H21BrO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h10-12H,1-9H2
InChIKeyUVFOBZGHNNGQTP-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.90
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

N-ethyl-3-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65165304
N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide
CID 106127872
2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
CID 65166473
3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566
2-(3-bromopropyl)oxolane
CID 15783712
2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane
CID 65165540
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
2-(cyclopropylmethyl)oxolane
CID 57067840
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromocyclohexyl)ethyl]oxolane?
The IUPAC name of 2-[2-(3-bromocyclohexyl)ethyl]oxolane (CID 65165148) is 2-[2-(3-bromocyclohexyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-(3-bromocyclohexyl)ethyl]oxolane?
The canonical SMILES for 2-[2-(3-bromocyclohexyl)ethyl]oxolane is BrC1CCCC(CCC2CCCO2)C1.
What is the InChIKey of 2-[2-(3-bromocyclohexyl)ethyl]oxolane?
The InChIKey is UVFOBZGHNNGQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h10-12H,1-9H2.
What are the key properties of 2-[2-(3-bromocyclohexyl)ethyl]oxolane?
2-[2-(3-bromocyclohexyl)ethyl]oxolane has a molecular weight of 261.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromocyclohexyl)ethyl]oxolane is sourced from PubChem (CID 65165148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).