1-chloro-1-propan-2-yloxybutane

C7H15ClO — CID 15801037

IUPAC1-chloro-1-propan-2-yloxybutane
SMILESCCCC(Cl)OC(C)C
InChIInChI=1S/C7H15ClO/c1-4-5-7(8)9-6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyLBHNAZCQGMIPQH-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.78
Rot. Bonds4

About 1-chloro-1-propan-2-yloxybutane

1-chloro-1-propan-2-yloxybutane (PubChem CID 15801037) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 1-chloro-1-propan-2-yloxybutane.

Molecular Properties

Compound Name1-chloro-1-propan-2-yloxybutane
PubChem CID15801037
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name1-chloro-1-propan-2-yloxybutane
SMILESCCCC(Cl)OC(C)C
InChIInChI=1S/C7H15ClO/c1-4-5-7(8)9-6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyLBHNAZCQGMIPQH-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-1-(1,3-dichlorohexoxy)hexane
CID 56996879
4-chloro-3-methylheptane
CID 54215050
3,6-di(propan-2-yloxy)octane
CID 175258426
1-(2-methylpropoxy)-1-propan-2-yloxybutane
CID 19964005
1-chloro-3,3-dimethyl-4-propan-2-yloxyheptane
CID 129235339
acetic acid;butane-1,1-diol;2-propan-2-yloxypropane
CID 174636882
2-[di(pentan-2-yloxy)methoxy]pentane
CID 19428773
1-chloro-1-(1-chloropropoxy)propane
CID 20501667
2,5-dichlorooctane
CID 56987607
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-methylpentane
CID 7892

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-propan-2-yloxybutane?
The IUPAC name of 1-chloro-1-propan-2-yloxybutane (CID 15801037) is 1-chloro-1-propan-2-yloxybutane.
What is the SMILES notation for 1-chloro-1-propan-2-yloxybutane?
The canonical SMILES for 1-chloro-1-propan-2-yloxybutane is CCCC(Cl)OC(C)C.
What is the InChIKey of 1-chloro-1-propan-2-yloxybutane?
The InChIKey is LBHNAZCQGMIPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-4-5-7(8)9-6(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-chloro-1-propan-2-yloxybutane?
1-chloro-1-propan-2-yloxybutane has a molecular weight of 150.65 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-propan-2-yloxybutane is sourced from PubChem (CID 15801037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).