1-(1-chloroethoxy)-3-methylbutane

C7H15ClO — CID 14018544

IUPAC1-(1-chloroethoxy)-3-methylbutane
SMILESCC(C)CCOC(C)Cl
InChIInChI=1S/C7H15ClO/c1-6(2)4-5-9-7(3)8/h6-7H,4-5H2,1-3H3
InChIKeyZTAQZZRFUJEQJH-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.63
Rot. Bonds4

About 1-(1-chloroethoxy)-3-methylbutane

1-(1-chloroethoxy)-3-methylbutane (PubChem CID 14018544) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 1-(1-chloroethoxy)-3-methylbutane.

Molecular Properties

Compound Name1-(1-chloroethoxy)-3-methylbutane
PubChem CID14018544
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name1-(1-chloroethoxy)-3-methylbutane
SMILESCC(C)CCOC(C)Cl
InChIInChI=1S/C7H15ClO/c1-6(2)4-5-9-7(3)8/h6-7H,4-5H2,1-3H3
InChIKeyZTAQZZRFUJEQJH-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.63
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-(1-chloroethoxy)-3-methylbutane?
The IUPAC name of 1-(1-chloroethoxy)-3-methylbutane (CID 14018544) is 1-(1-chloroethoxy)-3-methylbutane.
What is the SMILES notation for 1-(1-chloroethoxy)-3-methylbutane?
The canonical SMILES for 1-(1-chloroethoxy)-3-methylbutane is CC(C)CCOC(C)Cl.
What is the InChIKey of 1-(1-chloroethoxy)-3-methylbutane?
The InChIKey is ZTAQZZRFUJEQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-6(2)4-5-9-7(3)8/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(1-chloroethoxy)-3-methylbutane?
1-(1-chloroethoxy)-3-methylbutane has a molecular weight of 150.65 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethoxy)-3-methylbutane is sourced from PubChem (CID 14018544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).