1-chloropentane;ethane

C7H17Cl — CID 175284520

IUPAC1-chloropentane;ethane
SMILESCC.CCCCCCl
InChIInChI=1S/C5H11Cl.C2H6/c1-2-3-4-5-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyVJWYCHJPMVNYOP-UHFFFAOYSA-N
MW136.67 g/mol
LogP3.44
Rot. Bonds3

About 1-chloropentane;ethane

1-chloropentane;ethane (PubChem CID 175284520) has the molecular formula C7H17Cl and a molecular weight of 136.67 g/mol. Its IUPAC name is 1-chloropentane;ethane.

Molecular Properties

Compound Name1-chloropentane;ethane
PubChem CID175284520
Molecular FormulaC7H17Cl
Molecular Weight136.67 g/mol
Exact Mass136.10
IUPAC Name1-chloropentane;ethane
SMILESCC.CCCCCCl
InChIInChI=1S/C5H11Cl.C2H6/c1-2-3-4-5-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyVJWYCHJPMVNYOP-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.67
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 87162953
CID 87162953
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CID 173313037
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CID 174465004
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1-chloropentane;oxozinc
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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;ethane?
The IUPAC name of 1-chloropentane;ethane (CID 175284520) is 1-chloropentane;ethane.
What is the SMILES notation for 1-chloropentane;ethane?
The canonical SMILES for 1-chloropentane;ethane is CC.CCCCCCl.
What is the InChIKey of 1-chloropentane;ethane?
The InChIKey is VJWYCHJPMVNYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C2H6/c1-2-3-4-5-6;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of 1-chloropentane;ethane?
1-chloropentane;ethane has a molecular weight of 136.67 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;ethane is sourced from PubChem (CID 175284520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).