1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane

C10H17Br — CID 130555587

IUPAC1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane
SMILESCC1CCC12C(CBr)C2(C)C
InChIInChI=1S/C10H17Br/c1-7-4-5-10(7)8(6-11)9(10,2)3/h7-8H,4-6H2,1-3H3
InChIKeySOBAHWQXFRDODY-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.45
Rot. Bonds1

About 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane

1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane (PubChem CID 130555587) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane.

Molecular Properties

Compound Name1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane
PubChem CID130555587
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane
SMILESCC1CCC12C(CBr)C2(C)C
InChIInChI=1S/C10H17Br/c1-7-4-5-10(7)8(6-11)9(10,2)3/h7-8H,4-6H2,1-3H3
InChIKeySOBAHWQXFRDODY-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.45
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

1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane
CID 126974799
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane
CID 57072074
1,1-dibromo-2-methylcyclobutane
CID 118387031
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
trans-(1R,3S)-1,2,2,3-tetramethylcyclopentan-1-amine
CID 55289923
(1R)-1,2-dimethylcyclobutan-1-amine
CID 147198625
CID 18798545
CID 18798545
(1,2-dimethylcyclobutyl)-diethoxysilane
CID 123348766
2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol
CID 121221918
(2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine
CID 130756561
2-(bromomethyl)-8-methylspiro[2.5]octane
CID 81351055

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane?
The IUPAC name of 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane (CID 130555587) is 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane.
What is the SMILES notation for 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane?
The canonical SMILES for 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane is CC1CCC12C(CBr)C2(C)C.
What is the InChIKey of 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane?
The InChIKey is SOBAHWQXFRDODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-7-4-5-10(7)8(6-11)9(10,2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane?
1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane has a molecular weight of 217.15 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane is sourced from PubChem (CID 130555587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).