(6-chloro-6-cyclopropylhexyl)benzene

C15H21Cl — CID 64508670

IUPAC(6-chloro-6-cyclopropylhexyl)benzene
SMILESClC(CCCCCc1ccccc1)C1CC1
InChIInChI=1S/C15H21Cl/c16-15(14-11-12-14)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2
InChIKeyMZLLWMSJYJYNGD-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.81
Rot. Bonds7

About (6-chloro-6-cyclopropylhexyl)benzene

(6-chloro-6-cyclopropylhexyl)benzene (PubChem CID 64508670) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is (6-chloro-6-cyclopropylhexyl)benzene.

Molecular Properties

Compound Name(6-chloro-6-cyclopropylhexyl)benzene
PubChem CID64508670
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name(6-chloro-6-cyclopropylhexyl)benzene
SMILESClC(CCCCCc1ccccc1)C1CC1
InChIInChI=1S/C15H21Cl/c16-15(14-11-12-14)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2
InChIKeyMZLLWMSJYJYNGD-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.81
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

15-phenylpentadecane-1,1-diol
CID 139927269
4-phenylbutylbenzene
CID 141301927
5-cyclopropylpentylbenzene
CID 91089836
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
2-(8-phenyloctyl)propanedioic acid
CID 20544236
2-cyclopropyl-4-phenylbutanal
CID 83829133
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
4-cyclopropylbutylbenzene
CID 10261592
(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
8-(8-phenyloctoxy)octylbenzene
CID 56628536
5-methylheptylbenzene
CID 564254

Frequently Asked Questions

What is the IUPAC name of (6-chloro-6-cyclopropylhexyl)benzene?
The IUPAC name of (6-chloro-6-cyclopropylhexyl)benzene (CID 64508670) is (6-chloro-6-cyclopropylhexyl)benzene.
What is the SMILES notation for (6-chloro-6-cyclopropylhexyl)benzene?
The canonical SMILES for (6-chloro-6-cyclopropylhexyl)benzene is ClC(CCCCCc1ccccc1)C1CC1.
What is the InChIKey of (6-chloro-6-cyclopropylhexyl)benzene?
The InChIKey is MZLLWMSJYJYNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c16-15(14-11-12-14)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2.
What are the key properties of (6-chloro-6-cyclopropylhexyl)benzene?
(6-chloro-6-cyclopropylhexyl)benzene has a molecular weight of 236.79 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-6-cyclopropylhexyl)benzene is sourced from PubChem (CID 64508670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).