2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane

C12H21BrO2 — CID 130583037

IUPAC2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane
SMILESCCC1CC2(CCO1)CCC(C)(CBr)O2
InChIInChI=1S/C12H21BrO2/c1-3-10-8-12(6-7-14-10)5-4-11(2,9-13)15-12/h10H,3-9H2,1-2H3
InChIKeyZWIYUUONUPKDDX-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.28
Rot. Bonds2

About 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane

2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane (PubChem CID 130583037) has the molecular formula C12H21BrO2 and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane
PubChem CID130583037
Molecular FormulaC12H21BrO2
Molecular Weight277.20 g/mol
Exact Mass276.07
IUPAC Name2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane
SMILESCCC1CC2(CCO1)CCC(C)(CBr)O2
InChIInChI=1S/C12H21BrO2/c1-3-10-8-12(6-7-14-10)5-4-11(2,9-13)15-12/h10H,3-9H2,1-2H3
InChIKeyZWIYUUONUPKDDX-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde
CID 130584826
10-ethyl-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122462
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 114616093
4-(difluoromethyl)-2-ethyloxan-4-amine
CID 80605249
2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane
CID 130583351
4-[(4-bromothiophen-2-yl)methyl]-2-ethyloxan-4-ol
CID 65149472
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine
CID 80605526
2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol
CID 79912831
2-[2-ethyl-4-(ethylamino)oxan-4-yl]acetamide
CID 65234241
4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
CID 65385977
3-cyclopentyl-5-ethyloxolan-3-ol
CID 164652024

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane?
The IUPAC name of 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane (CID 130583037) is 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane.
What is the SMILES notation for 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane?
The canonical SMILES for 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane is CCC1CC2(CCO1)CCC(C)(CBr)O2.
What is the InChIKey of 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane?
The InChIKey is ZWIYUUONUPKDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO2/c1-3-10-8-12(6-7-14-10)5-4-11(2,9-13)15-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane?
2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane has a molecular weight of 277.20 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane is sourced from PubChem (CID 130583037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).