1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol

C8H17ClO2 — CID 112560865

IUPAC1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol
SMILESCC(C)C(C)OCC(O)CCl
InChIInChI=1S/C8H17ClO2/c1-6(2)7(3)11-5-8(10)4-9/h6-8,10H,4-5H2,1-3H3
InChIKeyQOGMRSUBKHXNDP-UHFFFAOYSA-N
MW180.67 g/mol
LogP1.65
Rot. Bonds5

About 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol

1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol (PubChem CID 112560865) has the molecular formula C8H17ClO2 and a molecular weight of 180.67 g/mol. Its IUPAC name is 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol
PubChem CID112560865
Molecular FormulaC8H17ClO2
Molecular Weight180.67 g/mol
Exact Mass180.09
IUPAC Name1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol
SMILESCC(C)C(C)OCC(O)CCl
InChIInChI=1S/C8H17ClO2/c1-6(2)7(3)11-5-8(10)4-9/h6-8,10H,4-5H2,1-3H3
InChIKeyQOGMRSUBKHXNDP-UHFFFAOYSA-N
XLogP1.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.67
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
CID 71441962
3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 90003830
(2S)-1-aminooxy-3-chloropropan-2-ol
CID 129235257
(3-chloro-2-hydroxypropoxy)-oxo-propan-2-ylphosphanium
CID 14904540
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
1-chloro-3-methoxyphosphanyloxypropan-2-ol
CID 88908247
(2S)-1-chloro-4-methylpentan-2-ol
CID 641049
3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
CID 123265934
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
1-chloro-3-(8-methylnonoxy)propan-2-ol
CID 141326416
bis(3-chloro-2-hydroxypropyl) methyl phosphate
CID 167583670
(2R)-1-[tert-butyl(methyl)silyl]oxy-3-chloropropan-2-ol
CID 154096628

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol?
The IUPAC name of 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol (CID 112560865) is 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol is CC(C)C(C)OCC(O)CCl.
What is the InChIKey of 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol?
The InChIKey is QOGMRSUBKHXNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2/c1-6(2)7(3)11-5-8(10)4-9/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol?
1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol has a molecular weight of 180.67 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-methylbutan-2-yloxy)propan-2-ol is sourced from PubChem (CID 112560865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).