1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane

C10H17BrO — CID 126974799

IUPAC1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane
SMILESCC1OCCC12C(CBr)C2(C)C
InChIInChI=1S/C10H17BrO/c1-7-10(4-5-12-7)8(6-11)9(10,2)3/h7-8H,4-6H2,1-3H3
InChIKeyUSAOCGJLDODYQG-UHFFFAOYSA-N
MW233.15 g/mol
LogP2.83
Rot. Bonds1

About 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane

1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane (PubChem CID 126974799) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane.

Molecular Properties

Compound Name1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane
PubChem CID126974799
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane
SMILESCC1OCCC12C(CBr)C2(C)C
InChIInChI=1S/C10H17BrO/c1-7-10(4-5-12-7)8(6-11)9(10,2)3/h7-8H,4-6H2,1-3H3
InChIKeyUSAOCGJLDODYQG-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 52.83
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

1-(bromomethyl)-2,2,6-trimethylspiro[2.3]hexane
CID 130555587
3-(bromomethyl)-2,3-dimethyloxolane
CID 114536016
3-(bromomethyl)-3-ethyl-2-methyloxolane
CID 114535961
(3-ethyl-2-methyloxolan-3-yl)methanamine
CID 114533945
ethane;2,3,3-trimethyloxane
CID 142059544
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
N-(2,3-dimethyloxolan-3-yl)-N',N'-diethylethane-1,2-diamine
CID 103581353
N-ethyl-2,3-dimethyloxolan-3-amine
CID 103581198
3-(methoxymethyl)-2-methyloxolan-3-amine
CID 114535350
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol
CID 114622182
[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
CID 114534101
3-(bromomethyl)-2-methyl-3-[(5-methyloxolan-2-yl)methyl]oxolane
CID 103142753

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane?
The IUPAC name of 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane (CID 126974799) is 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane.
What is the SMILES notation for 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane?
The canonical SMILES for 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane is CC1OCCC12C(CBr)C2(C)C.
What is the InChIKey of 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane?
The InChIKey is USAOCGJLDODYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c1-7-10(4-5-12-7)8(6-11)9(10,2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane?
1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane has a molecular weight of 233.15 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane is sourced from PubChem (CID 126974799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).