[1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane

C12H23ClO — CID 106459706

IUPAC[1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane
SMILESCC(C)COCCC(C)(CCl)C1CC1
InChIInChI=1S/C12H23ClO/c1-10(2)8-14-7-6-12(3,9-13)11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKeyHIMQRKSOTWWFMY-UHFFFAOYSA-N
MW218.77 g/mol
LogP3.70
Rot. Bonds7

About [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane

[1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane (PubChem CID 106459706) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane.

Molecular Properties

Compound Name[1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane
PubChem CID106459706
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name[1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane
SMILESCC(C)COCCC(C)(CCl)C1CC1
InChIInChI=1S/C12H23ClO/c1-10(2)8-14-7-6-12(3,9-13)11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKeyHIMQRKSOTWWFMY-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
CID 106459785
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83159358
(1-chloro-2-methylundecan-2-yl)cyclopropane
CID 83150328
2-cyclopropyl-2-methyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 83160505
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
CID 106450690
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863
2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106450721
2-amino-2-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115746731
4-chloro-5,5-dimethyl-1-(2-methylpropoxy)hexane
CID 106455986

Frequently Asked Questions

What is the IUPAC name of [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane?
The IUPAC name of [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane (CID 106459706) is [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane.
What is the SMILES notation for [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane?
The canonical SMILES for [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane is CC(C)COCCC(C)(CCl)C1CC1.
What is the InChIKey of [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane?
The InChIKey is HIMQRKSOTWWFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO/c1-10(2)8-14-7-6-12(3,9-13)11-4-5-11/h10-11H,4-9H2,1-3H3.
What are the key properties of [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane?
[1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane has a molecular weight of 218.77 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane is sourced from PubChem (CID 106459706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).