1-chloro-1-methoxy-2-methylpropane

C5H11ClO — CID 12554918

IUPAC1-chloro-1-methoxy-2-methylpropane
SMILESCOC(Cl)C(C)C
InChIInChI=1S/C5H11ClO/c1-4(2)5(6)7-3/h4-5H,1-3H3
InChIKeySJOVULDVRPDANF-UHFFFAOYSA-N
MW122.59 g/mol
LogP1.85
Rot. Bonds2

About 1-chloro-1-methoxy-2-methylpropane

1-chloro-1-methoxy-2-methylpropane (PubChem CID 12554918) has the molecular formula C5H11ClO and a molecular weight of 122.59 g/mol. Its IUPAC name is 1-chloro-1-methoxy-2-methylpropane.

Molecular Properties

Compound Name1-chloro-1-methoxy-2-methylpropane
PubChem CID12554918
Molecular FormulaC5H11ClO
Molecular Weight122.59 g/mol
Exact Mass122.05
IUPAC Name1-chloro-1-methoxy-2-methylpropane
SMILESCOC(Cl)C(C)C
InChIInChI=1S/C5H11ClO/c1-4(2)5(6)7-3/h4-5H,1-3H3
InChIKeySJOVULDVRPDANF-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.59
LogP ≤ 51.85
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-methoxy-2-methylpropane?
The IUPAC name of 1-chloro-1-methoxy-2-methylpropane (CID 12554918) is 1-chloro-1-methoxy-2-methylpropane.
What is the SMILES notation for 1-chloro-1-methoxy-2-methylpropane?
The canonical SMILES for 1-chloro-1-methoxy-2-methylpropane is COC(Cl)C(C)C.
What is the InChIKey of 1-chloro-1-methoxy-2-methylpropane?
The InChIKey is SJOVULDVRPDANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO/c1-4(2)5(6)7-3/h4-5H,1-3H3.
What are the key properties of 1-chloro-1-methoxy-2-methylpropane?
1-chloro-1-methoxy-2-methylpropane has a molecular weight of 122.59 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methoxy-2-methylpropane is sourced from PubChem (CID 12554918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).