tert-butylbenzene;chloromethane;ethane

C13H23Cl — CID 91149652

IUPACtert-butylbenzene;chloromethane;ethane
SMILESCC.CC(C)(C)c1ccccc1.CCl
InChIInChI=1S/C10H14.C2H6.CH3Cl/c1-10(2,3)9-7-5-4-6-8-9;2*1-2/h4-8H,1-3H3;1-2H3;1H3
InChIKeyHBVPZSRSXJNMFE-UHFFFAOYSA-N
MW214.78 g/mol
LogP4.87
Rot. Bonds

About tert-butylbenzene;chloromethane;ethane

tert-butylbenzene;chloromethane;ethane (PubChem CID 91149652) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is tert-butylbenzene;chloromethane;ethane.

Molecular Properties

Compound Nametert-butylbenzene;chloromethane;ethane
PubChem CID91149652
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Nametert-butylbenzene;chloromethane;ethane
SMILESCC.CC(C)(C)c1ccccc1.CCl
InChIInChI=1S/C10H14.C2H6.CH3Cl/c1-10(2,3)9-7-5-4-6-8-9;2*1-2/h4-8H,1-3H3;1-2H3;1H3
InChIKeyHBVPZSRSXJNMFE-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.78
LogP ≤ 54.87
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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CID 10942535
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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;chloromethane;ethane?
The IUPAC name of tert-butylbenzene;chloromethane;ethane (CID 91149652) is tert-butylbenzene;chloromethane;ethane.
What is the SMILES notation for tert-butylbenzene;chloromethane;ethane?
The canonical SMILES for tert-butylbenzene;chloromethane;ethane is CC.CC(C)(C)c1ccccc1.CCl.
What is the InChIKey of tert-butylbenzene;chloromethane;ethane?
The InChIKey is HBVPZSRSXJNMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H6.CH3Cl/c1-10(2,3)9-7-5-4-6-8-9;2*1-2/h4-8H,1-3H3;1-2H3;1H3.
What are the key properties of tert-butylbenzene;chloromethane;ethane?
tert-butylbenzene;chloromethane;ethane has a molecular weight of 214.78 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;chloromethane;ethane is sourced from PubChem (CID 91149652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).