2-(2-chloropropan-2-yl)tridecylbenzene

C22H37Cl — CID 175479853

IUPAC2-(2-chloropropan-2-yl)tridecylbenzene
SMILESCCCCCCCCCCCC(Cc1ccccc1)C(C)(C)Cl
InChIInChI=1S/C22H37Cl/c1-4-5-6-7-8-9-10-11-15-18-21(22(2,3)23)19-20-16-13-12-14-17-20/h12-14,16-17,21H,4-11,15,18-19H2,1-3H3
InChIKeyUQWLTIDZOCBRAW-UHFFFAOYSA-N
MW336.99 g/mol
LogP7.78
Rot. Bonds13

About 2-(2-chloropropan-2-yl)tridecylbenzene

2-(2-chloropropan-2-yl)tridecylbenzene (PubChem CID 175479853) has the molecular formula C22H37Cl and a molecular weight of 336.99 g/mol. Its IUPAC name is 2-(2-chloropropan-2-yl)tridecylbenzene.

Molecular Properties

Compound Name2-(2-chloropropan-2-yl)tridecylbenzene
PubChem CID175479853
Molecular FormulaC22H37Cl
Molecular Weight336.99 g/mol
Exact Mass336.26
IUPAC Name2-(2-chloropropan-2-yl)tridecylbenzene
SMILESCCCCCCCCCCCC(Cc1ccccc1)C(C)(C)Cl
InChIInChI=1S/C22H37Cl/c1-4-5-6-7-8-9-10-11-15-18-21(22(2,3)23)19-20-16-13-12-14-17-20/h12-14,16-17,21H,4-11,15,18-19H2,1-3H3
InChIKeyUQWLTIDZOCBRAW-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.99
LogP ≤ 57.78
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

3-benzyl-2-methyltridecan-2-amine
CID 11153328
(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
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CID 151688969
3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757
(6-benzyl-5-butyltetradecan-5-yl)arsane
CID 173347264
2-(1,1,1-trichloro-2-methoxypentan-2-yl)nonylbenzene
CID 152703640
(6-benzyl-5-butyltetradecan-5-yl)arsane;hydrate
CID 173347263
azanium;4-benzyl-3-ethylhexadecan-3-ol;chloride
CID 159602432
(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide
CID 173157523
2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
CID 173158521
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropropan-2-yl)tridecylbenzene?
The IUPAC name of 2-(2-chloropropan-2-yl)tridecylbenzene (CID 175479853) is 2-(2-chloropropan-2-yl)tridecylbenzene.
What is the SMILES notation for 2-(2-chloropropan-2-yl)tridecylbenzene?
The canonical SMILES for 2-(2-chloropropan-2-yl)tridecylbenzene is CCCCCCCCCCCC(Cc1ccccc1)C(C)(C)Cl.
What is the InChIKey of 2-(2-chloropropan-2-yl)tridecylbenzene?
The InChIKey is UQWLTIDZOCBRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37Cl/c1-4-5-6-7-8-9-10-11-15-18-21(22(2,3)23)19-20-16-13-12-14-17-20/h12-14,16-17,21H,4-11,15,18-19H2,1-3H3.
What are the key properties of 2-(2-chloropropan-2-yl)tridecylbenzene?
2-(2-chloropropan-2-yl)tridecylbenzene has a molecular weight of 336.99 g/mol, XLogP of 7.78, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropropan-2-yl)tridecylbenzene is sourced from PubChem (CID 175479853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).