[2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane

C11H20Cl2O — CID 106931438

IUPAC[2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane
SMILESCC(C)C(CCl)(CCl)COCC1CC1
InChIInChI=1S/C11H20Cl2O/c1-9(2)11(6-12,7-13)8-14-5-10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyYJMINHJWVXHBTD-UHFFFAOYSA-N
MW239.19 g/mol
LogP3.53
Rot. Bonds7

About [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane

[2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane (PubChem CID 106931438) has the molecular formula C11H20Cl2O and a molecular weight of 239.19 g/mol. Its IUPAC name is [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane.

Molecular Properties

Compound Name[2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane
PubChem CID106931438
Molecular FormulaC11H20Cl2O
Molecular Weight239.19 g/mol
Exact Mass238.09
IUPAC Name[2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane
SMILESCC(C)C(CCl)(CCl)COCC1CC1
InChIInChI=1S/C11H20Cl2O/c1-9(2)11(6-12,7-13)8-14-5-10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyYJMINHJWVXHBTD-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.53
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-(chloromethyl)-2,3-dimethylbutoxy]methylcyclopropane
CID 106931403
2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol
CID 106931310
[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
3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79627805
4-[2,2-bis(chloromethyl)-3-methylbutyl]oxane
CID 79447508
cyclopentylmethoxymethylcyclopentane;1,1-dichloroethane;1,2-dichloroethane
CID 174797469
1-(chloromethoxymethyl)-4-ethylcyclohexane
CID 143398974
3-methylbutoxymethylcyclopropane
CID 58970607
cyclopropylmethoxymethylcyclopropane;hydron
CID 175036707
2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 106931007

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane?
The IUPAC name of [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane (CID 106931438) is [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane.
What is the SMILES notation for [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane?
The canonical SMILES for [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane is CC(C)C(CCl)(CCl)COCC1CC1.
What is the InChIKey of [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane?
The InChIKey is YJMINHJWVXHBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2O/c1-9(2)11(6-12,7-13)8-14-5-10-3-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane?
[2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane has a molecular weight of 239.19 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(chloromethyl)-3-methylbutoxy]methylcyclopropane is sourced from PubChem (CID 106931438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).