[2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane

C11H21ClO — CID 106931403

IUPAC[2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane
SMILESCC(C)C(C)(CCl)COCC1CC1
InChIInChI=1S/C11H21ClO/c1-9(2)11(3,7-12)8-13-6-10-4-5-10/h9-10H,4-8H2,1-3H3
InChIKeyCDWHAXLYFUFIOK-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.31
Rot. Bonds6

About [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane

[2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane (PubChem CID 106931403) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane.

Molecular Properties

Compound Name[2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane
PubChem CID106931403
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name[2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane
SMILESCC(C)C(C)(CCl)COCC1CC1
InChIInChI=1S/C11H21ClO/c1-9(2)11(3,7-12)8-13-6-10-4-5-10/h9-10H,4-8H2,1-3H3
InChIKeyCDWHAXLYFUFIOK-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.31
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

2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol
CID 106931310
[2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane
CID 106931438
[2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane
CID 106931326
3-(cyclopropylmethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79628569
[2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane
CID 106931452
2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 106931007
3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79627805
2-cyclopropyl-3-(cyclopropylmethoxy)-2-methylpropan-1-ol
CID 106931309
cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane
CID 174797469
4-(2,2-dimethylpropoxymethyl)piperidine
CID 26188639
1-(chloromethoxymethyl)-4-ethylcyclohexane
CID 143398974
3-methylbutoxymethylcyclopropane
CID 58970607

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane?
The IUPAC name of [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane (CID 106931403) is [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane.
What is the SMILES notation for [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane?
The canonical SMILES for [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane is CC(C)C(C)(CCl)COCC1CC1.
What is the InChIKey of [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane?
The InChIKey is CDWHAXLYFUFIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-9(2)11(3,7-12)8-13-6-10-4-5-10/h9-10H,4-8H2,1-3H3.
What are the key properties of [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane?
[2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane has a molecular weight of 204.74 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane is sourced from PubChem (CID 106931403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).