formyl chloride;3-methylbutan-1-ol

C6H13ClO2 — CID 88598720

IUPACformyl chloride;3-methylbutan-1-ol
SMILESCC(C)CCO.O=CCl
InChIInChI=1S/C5H12O.CHClO/c1-5(2)3-4-6;2-1-3/h5-6H,3-4H2,1-2H3;1H
InChIKeyWSVZLRLRAAWKLT-UHFFFAOYSA-N
MW152.62 g/mol
LogP1.44
Rot. Bonds2

About formyl chloride;3-methylbutan-1-ol

formyl chloride;3-methylbutan-1-ol (PubChem CID 88598720) has the molecular formula C6H13ClO2 and a molecular weight of 152.62 g/mol. Its IUPAC name is formyl chloride;3-methylbutan-1-ol.

Molecular Properties

Compound Nameformyl chloride;3-methylbutan-1-ol
PubChem CID88598720
Molecular FormulaC6H13ClO2
Molecular Weight152.62 g/mol
Exact Mass152.06
IUPAC Nameformyl chloride;3-methylbutan-1-ol
SMILESCC(C)CCO.O=CCl
InChIInChI=1S/C5H12O.CHClO/c1-5(2)3-4-6;2-1-3/h5-6H,3-4H2,1-2H3;1H
InChIKeyWSVZLRLRAAWKLT-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloroform;3-methylbutan-1-ol
CID 173101838
calcium;hydride;3-methylbutan-1-ol
CID 174734037
sodium;hydride;3-methylbutan-1-ol
CID 173128134
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
chloro hypochlorite;bis(3-methylbutan-1-ol);vanadium
CID 88737111
ethane;3-methylbutan-1-ol;propane
CID 163391548
acetonitrile;3-methylbutan-1-ol
CID 161349190
acetonitrile;3-methylbutan-1-ol;hydrate
CID 87881666
(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol
CID 171813190
butan-1-ol;dichloromethane;3-methylbutan-1-ol
CID 174966055
3-methoxyprop-1-ene;3-methylbutan-1-ol
CID 87580492
3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838

Frequently Asked Questions

What is the IUPAC name of formyl chloride;3-methylbutan-1-ol?
The IUPAC name of formyl chloride;3-methylbutan-1-ol (CID 88598720) is formyl chloride;3-methylbutan-1-ol.
What is the SMILES notation for formyl chloride;3-methylbutan-1-ol?
The canonical SMILES for formyl chloride;3-methylbutan-1-ol is CC(C)CCO.O=CCl.
What is the InChIKey of formyl chloride;3-methylbutan-1-ol?
The InChIKey is WSVZLRLRAAWKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.CHClO/c1-5(2)3-4-6;2-1-3/h5-6H,3-4H2,1-2H3;1H.
What are the key properties of formyl chloride;3-methylbutan-1-ol?
formyl chloride;3-methylbutan-1-ol has a molecular weight of 152.62 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;3-methylbutan-1-ol is sourced from PubChem (CID 88598720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).