(1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene

C17H10Cl10 — CID 154603995

IUPAC(1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene
SMILESClC(Cl)(Cl)C(Cl)(Cl)C(c1ccccc1)(c1ccccc1)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C17H10Cl10/c18-14(19,16(22,23)24)13(11-7-3-1-4-8-11,12-9-5-2-6-10-12)15(20,21)17(25,26)27/h1-10H
InChIKeyNXZOGJZTKLNMBL-UHFFFAOYSA-N
MW568.80 g/mol
LogP9.06
Rot. Bonds4

About (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene

(1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene (PubChem CID 154603995) has the molecular formula C17H10Cl10 and a molecular weight of 568.80 g/mol. Its IUPAC name is (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene.

Molecular Properties

Compound Name(1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene
PubChem CID154603995
Molecular FormulaC17H10Cl10
Molecular Weight568.80 g/mol
Exact Mass563.77
IUPAC Name(1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene
SMILESClC(Cl)(Cl)C(Cl)(Cl)C(c1ccccc1)(c1ccccc1)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C17H10Cl10/c18-14(19,16(22,23)24)13(11-7-3-1-4-8-11,12-9-5-2-6-10-12)15(20,21)17(25,26)27/h1-10H
InChIKeyNXZOGJZTKLNMBL-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.80
LogP ≤ 59.06
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

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Frequently Asked Questions

What is the IUPAC name of (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene?
The IUPAC name of (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene (CID 154603995) is (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene.
What is the SMILES notation for (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene?
The canonical SMILES for (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene is ClC(Cl)(Cl)C(Cl)(Cl)C(c1ccccc1)(c1ccccc1)C(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene?
The InChIKey is NXZOGJZTKLNMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl10/c18-14(19,16(22,23)24)13(11-7-3-1-4-8-11,12-9-5-2-6-10-12)15(20,21)17(25,26)27/h1-10H.
What are the key properties of (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene?
(1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene has a molecular weight of 568.80 g/mol, XLogP of 9.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene is sourced from PubChem (CID 154603995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).