1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane

C10H21ClO — CID 23124411

IUPAC1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane
SMILESCCC(C)C(Cl)OCC(C)(C)C
InChIInChI=1S/C10H21ClO/c1-6-8(2)9(11)12-7-10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyKISCNCUNVFDNJH-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.66
Rot. Bonds4

About 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane

1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane (PubChem CID 23124411) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane.

Molecular Properties

Compound Name1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane
PubChem CID23124411
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane
SMILESCCC(C)C(Cl)OCC(C)(C)C
InChIInChI=1S/C10H21ClO/c1-6-8(2)9(11)12-7-10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyKISCNCUNVFDNJH-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane?
The IUPAC name of 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane (CID 23124411) is 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane.
What is the SMILES notation for 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane?
The canonical SMILES for 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane is CCC(C)C(Cl)OCC(C)(C)C.
What is the InChIKey of 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane?
The InChIKey is KISCNCUNVFDNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-6-8(2)9(11)12-7-10(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane?
1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane has a molecular weight of 192.73 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2,2-dimethylpropoxy)-2-methylbutane is sourced from PubChem (CID 23124411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).