(2,2-dichloro-3-hexylcyclopropyl)benzene

C15H20Cl2 — CID 524146

IUPAC(2,2-dichloro-3-hexylcyclopropyl)benzene
SMILESCCCCCCC1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C15H20Cl2/c1-2-3-4-8-11-13-14(15(13,16)17)12-9-6-5-7-10-12/h5-7,9-10,13-14H,2-4,8,11H2,1H3
InChIKeyOUVKISAYBHYIDE-UHFFFAOYSA-N
MW271.23 g/mol
LogP5.54
Rot. Bonds6

About (2,2-dichloro-3-hexylcyclopropyl)benzene

(2,2-dichloro-3-hexylcyclopropyl)benzene (PubChem CID 524146) has the molecular formula C15H20Cl2 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2,2-dichloro-3-hexylcyclopropyl)benzene.

Molecular Properties

Compound Name(2,2-dichloro-3-hexylcyclopropyl)benzene
PubChem CID524146
Molecular FormulaC15H20Cl2
Molecular Weight271.23 g/mol
Exact Mass270.09
IUPAC Name(2,2-dichloro-3-hexylcyclopropyl)benzene
SMILESCCCCCCC1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C15H20Cl2/c1-2-3-4-8-11-13-14(15(13,16)17)12-9-6-5-7-10-12/h5-7,9-10,13-14H,2-4,8,11H2,1H3
InChIKeyOUVKISAYBHYIDE-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.23
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

2-(2,2-dichloro-3-phenylcyclopropyl)acetic acid
CID 137346640
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
(4-octylphenyl)-phenyliodanium
CID 16696664
cis-(3R,4S)-3-butyl-2,2-dimethyl-4-phenylcyclobutan-1-one
CID 10889734
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
1-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234
1-nonadecyl-2-phenyl-3-undecyl-2H-imidazole
CID 69392101
1-nonadecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69388313
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-3-hexylcyclopropyl)benzene?
The IUPAC name of (2,2-dichloro-3-hexylcyclopropyl)benzene (CID 524146) is (2,2-dichloro-3-hexylcyclopropyl)benzene.
What is the SMILES notation for (2,2-dichloro-3-hexylcyclopropyl)benzene?
The canonical SMILES for (2,2-dichloro-3-hexylcyclopropyl)benzene is CCCCCCC1C(c2ccccc2)C1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-3-hexylcyclopropyl)benzene?
The InChIKey is OUVKISAYBHYIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2/c1-2-3-4-8-11-13-14(15(13,16)17)12-9-6-5-7-10-12/h5-7,9-10,13-14H,2-4,8,11H2,1H3.
What are the key properties of (2,2-dichloro-3-hexylcyclopropyl)benzene?
(2,2-dichloro-3-hexylcyclopropyl)benzene has a molecular weight of 271.23 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-3-hexylcyclopropyl)benzene is sourced from PubChem (CID 524146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).