8-(1-bromoethyl)spiro[4.5]decane

C12H21Br — CID 114821018

IUPAC8-(1-bromoethyl)spiro[4.5]decane
SMILESCC(Br)C1CCC2(CCCC2)CC1
InChIInChI=1S/C12H21Br/c1-10(13)11-4-8-12(9-5-11)6-2-3-7-12/h10-11H,2-9H2,1H3
InChIKeyZBVAZFDCMPZDDT-UHFFFAOYSA-N
MW245.20 g/mol
LogP4.52
Rot. Bonds1

About 8-(1-bromoethyl)spiro[4.5]decane

8-(1-bromoethyl)spiro[4.5]decane (PubChem CID 114821018) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is 8-(1-bromoethyl)spiro[4.5]decane.

Molecular Properties

Compound Name8-(1-bromoethyl)spiro[4.5]decane
PubChem CID114821018
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name8-(1-bromoethyl)spiro[4.5]decane
SMILESCC(Br)C1CCC2(CCCC2)CC1
InChIInChI=1S/C12H21Br/c1-10(13)11-4-8-12(9-5-11)6-2-3-7-12/h10-11H,2-9H2,1H3
InChIKeyZBVAZFDCMPZDDT-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(1-chloroethyl)spiro[5.5]undecane
CID 58073632
1-bromoethylcyclododecane
CID 66471074
N-(1-cyclopropylethyl)spiro[4.5]decan-8-amine
CID 114817251
methyl 2-bromo-2-spiro[3.5]nonan-7-ylacetate
CID 177337865
3-propan-2-yl-8-oxaspiro[5.6]dodecane
CID 176804271
N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine
CID 114820982
3-(1-bromoethyl)-1,1-dimethylcyclohexane
CID 66471069
3-methylspiro[5.6]dodecane
CID 143797283
(3R,5R)-3-propan-2-yl-7-azaspiro[4.6]undecane
CID 121382412
3-propan-2-yl-7-azaspiro[4.6]undecane
CID 121382376
spiro[4.4]nonane
CID 90780660
8,9-di(propan-2-yl)spiro[4.5]decane
CID 140631430

Frequently Asked Questions

What is the IUPAC name of 8-(1-bromoethyl)spiro[4.5]decane?
The IUPAC name of 8-(1-bromoethyl)spiro[4.5]decane (CID 114821018) is 8-(1-bromoethyl)spiro[4.5]decane.
What is the SMILES notation for 8-(1-bromoethyl)spiro[4.5]decane?
The canonical SMILES for 8-(1-bromoethyl)spiro[4.5]decane is CC(Br)C1CCC2(CCCC2)CC1.
What is the InChIKey of 8-(1-bromoethyl)spiro[4.5]decane?
The InChIKey is ZBVAZFDCMPZDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Br/c1-10(13)11-4-8-12(9-5-11)6-2-3-7-12/h10-11H,2-9H2,1H3.
What are the key properties of 8-(1-bromoethyl)spiro[4.5]decane?
8-(1-bromoethyl)spiro[4.5]decane has a molecular weight of 245.20 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-bromoethyl)spiro[4.5]decane is sourced from PubChem (CID 114821018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).