1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane

C9H16Cl2 — CID 558354

IUPAC1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane
SMILESCCC(C)C1(C)C(C)C1(Cl)Cl
InChIInChI=1S/C9H16Cl2/c1-5-6(2)8(4)7(3)9(8,10)11/h6-7H,5H2,1-4H3
InChIKeyULXKDIZMPQTPAZ-UHFFFAOYSA-N
MW195.13 g/mol
LogP3.86
Rot. Bonds2

About 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane

1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane (PubChem CID 558354) has the molecular formula C9H16Cl2 and a molecular weight of 195.13 g/mol. Its IUPAC name is 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane.

Molecular Properties

Compound Name1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane
PubChem CID558354
Molecular FormulaC9H16Cl2
Molecular Weight195.13 g/mol
Exact Mass194.06
IUPAC Name1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane
SMILESCCC(C)C1(C)C(C)C1(Cl)Cl
InChIInChI=1S/C9H16Cl2/c1-5-6(2)8(4)7(3)9(8,10)11/h6-7H,5H2,1-4H3
InChIKeyULXKDIZMPQTPAZ-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 53.86
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

1,1,2-trichloro-2,3-dimethylcyclopropane
CID 70491596
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
1-ethyl-1,2,3-trimethyl-2-propan-2-ylcyclopropane
CID 91546237
1,2-dimethyl-1-(4-methylhexan-2-yl)cyclopropane
CID 123932915
1-butan-2-yl-2-ethylidene-1,3-dimethylcyclopropane
CID 123839350
1-chloro-1,2,2,3-tetramethylcyclopropane
CID 14202704
1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane
CID 123430128
N-methyl-1-(1,2,3-trimethyl-2-pentan-2-ylcyclopropyl)methanamine
CID 123713297
1-(2,4-dimethylhexyl)-2,3-dimethyl-4-propan-2-ylbicyclo[1.1.0]butane
CID 91598566
1-butan-2-yl-1-tert-butylcyclopropane
CID 123358420
1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane
CID 90870051
1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane
CID 123787972

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane?
The IUPAC name of 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane (CID 558354) is 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane.
What is the SMILES notation for 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane?
The canonical SMILES for 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane is CCC(C)C1(C)C(C)C1(Cl)Cl.
What is the InChIKey of 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane?
The InChIKey is ULXKDIZMPQTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2/c1-5-6(2)8(4)7(3)9(8,10)11/h6-7H,5H2,1-4H3.
What are the key properties of 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane?
1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane has a molecular weight of 195.13 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,2-dichloro-1,3-dimethylcyclopropane is sourced from PubChem (CID 558354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).