(4-chloro-2,4-dimethylpentan-2-yl)benzene

C13H19Cl — CID 13095883

IUPAC(4-chloro-2,4-dimethylpentan-2-yl)benzene
SMILESCC(C)(Cl)CC(C)(C)c1ccccc1
InChIInChI=1S/C13H19Cl/c1-12(2,10-13(3,4)14)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeySUAAALDLPARNMH-UHFFFAOYSA-N
MW210.75 g/mol
LogP4.37
Rot. Bonds3

About (4-chloro-2,4-dimethylpentan-2-yl)benzene

(4-chloro-2,4-dimethylpentan-2-yl)benzene (PubChem CID 13095883) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is (4-chloro-2,4-dimethylpentan-2-yl)benzene.

Molecular Properties

Compound Name(4-chloro-2,4-dimethylpentan-2-yl)benzene
PubChem CID13095883
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name(4-chloro-2,4-dimethylpentan-2-yl)benzene
SMILESCC(C)(Cl)CC(C)(C)c1ccccc1
InChIInChI=1S/C13H19Cl/c1-12(2,10-13(3,4)14)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeySUAAALDLPARNMH-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 54.37
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

(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
CID 158792811
CID 158792811
1,4-bis(6-chloro-2,4,4,6-tetramethylheptan-2-yl)benzene
CID 22975899
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
CID 144516441
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
2,3,3,5-tetramethyl-5-phenylhexanoic acid
CID 147319190
[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287
1,4-bis(chloromethyl)benzene;2-chloropropan-2-ylbenzene
CID 157434401
3,3,5-trimethyl-5-phenylhexanoic acid
CID 167163397
[4-hydroperoxy-4-(2-hydroperoxy-4-methyl-4-phenylpentan-2-yl)peroxy-2-methylpentan-2-yl]benzene
CID 21406617
Trineophyltin hydride
CID 6327208
dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)
CID 18688279

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,4-dimethylpentan-2-yl)benzene?
The IUPAC name of (4-chloro-2,4-dimethylpentan-2-yl)benzene (CID 13095883) is (4-chloro-2,4-dimethylpentan-2-yl)benzene.
What is the SMILES notation for (4-chloro-2,4-dimethylpentan-2-yl)benzene?
The canonical SMILES for (4-chloro-2,4-dimethylpentan-2-yl)benzene is CC(C)(Cl)CC(C)(C)c1ccccc1.
What is the InChIKey of (4-chloro-2,4-dimethylpentan-2-yl)benzene?
The InChIKey is SUAAALDLPARNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl/c1-12(2,10-13(3,4)14)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of (4-chloro-2,4-dimethylpentan-2-yl)benzene?
(4-chloro-2,4-dimethylpentan-2-yl)benzene has a molecular weight of 210.75 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,4-dimethylpentan-2-yl)benzene is sourced from PubChem (CID 13095883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).