1-chloropentane;oxozinc

C5H11ClOZn — CID 175453062

IUPAC1-chloropentane;oxozinc
SMILESCCCCCCl.O=[Zn]
InChIInChI=1S/C5H11Cl.O.Zn/c1-2-3-4-5-6;;/h2-5H2,1H3;;
InChIKeyJFXXTVJIDCIFMY-UHFFFAOYSA-N
MW187.98 g/mol
LogP2.29
Rot. Bonds3

About 1-chloropentane;oxozinc

1-chloropentane;oxozinc (PubChem CID 175453062) has the molecular formula C5H11ClOZn and a molecular weight of 187.98 g/mol. Its IUPAC name is 1-chloropentane;oxozinc.

Molecular Properties

Compound Name1-chloropentane;oxozinc
PubChem CID175453062
Molecular FormulaC5H11ClOZn
Molecular Weight187.98 g/mol
Exact Mass185.98
IUPAC Name1-chloropentane;oxozinc
SMILESCCCCCCl.O=[Zn]
InChIInChI=1S/C5H11Cl.O.Zn/c1-2-3-4-5-6;;/h2-5H2,1H3;;
InChIKeyJFXXTVJIDCIFMY-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.98
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174937871
1-chloropentane;ethane
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1-chloropentane;pentadecane
CID 174295582
CID 87162953
CID 87162953
1-chloropentane;zirconium;octahydrate
CID 175544911
alumane;1-chloropentane;hydrate
CID 173313037
1-chloropentane;methylphosphane
CID 174465004
1-chloropentane;propan-2-one
CID 174417344
azane;1-chlorohexadecane;hydrate
CID 174801150

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;oxozinc?
The IUPAC name of 1-chloropentane;oxozinc (CID 175453062) is 1-chloropentane;oxozinc.
What is the SMILES notation for 1-chloropentane;oxozinc?
The canonical SMILES for 1-chloropentane;oxozinc is CCCCCCl.O=[Zn].
What is the InChIKey of 1-chloropentane;oxozinc?
The InChIKey is JFXXTVJIDCIFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.O.Zn/c1-2-3-4-5-6;;/h2-5H2,1H3;;.
What are the key properties of 1-chloropentane;oxozinc?
1-chloropentane;oxozinc has a molecular weight of 187.98 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;oxozinc is sourced from PubChem (CID 175453062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).