1-chloro-5-(3-methylbutylsulfonyl)pentane

C10H21ClO2S — CID 18965295

IUPAC1-chloro-5-(3-methylbutylsulfonyl)pentane
SMILESCC(C)CCS(=O)(=O)CCCCCCl
InChIInChI=1S/C10H21ClO2S/c1-10(2)6-9-14(12,13)8-5-3-4-7-11/h10H,3-9H2,1-2H3
InChIKeyGHGFDKAHATZYBW-UHFFFAOYSA-N
MW240.80 g/mol
LogP2.86
Rot. Bonds8

About 1-chloro-5-(3-methylbutylsulfonyl)pentane

1-chloro-5-(3-methylbutylsulfonyl)pentane (PubChem CID 18965295) has the molecular formula C10H21ClO2S and a molecular weight of 240.80 g/mol. Its IUPAC name is 1-chloro-5-(3-methylbutylsulfonyl)pentane.

Molecular Properties

Compound Name1-chloro-5-(3-methylbutylsulfonyl)pentane
PubChem CID18965295
Molecular FormulaC10H21ClO2S
Molecular Weight240.80 g/mol
Exact Mass240.10
IUPAC Name1-chloro-5-(3-methylbutylsulfonyl)pentane
SMILESCC(C)CCS(=O)(=O)CCCCCCl
InChIInChI=1S/C10H21ClO2S/c1-10(2)6-9-14(12,13)8-5-3-4-7-11/h10H,3-9H2,1-2H3
InChIKeyGHGFDKAHATZYBW-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.80
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(3-methylbutylsulfonyl)pentane?
The IUPAC name of 1-chloro-5-(3-methylbutylsulfonyl)pentane (CID 18965295) is 1-chloro-5-(3-methylbutylsulfonyl)pentane.
What is the SMILES notation for 1-chloro-5-(3-methylbutylsulfonyl)pentane?
The canonical SMILES for 1-chloro-5-(3-methylbutylsulfonyl)pentane is CC(C)CCS(=O)(=O)CCCCCCl.
What is the InChIKey of 1-chloro-5-(3-methylbutylsulfonyl)pentane?
The InChIKey is GHGFDKAHATZYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO2S/c1-10(2)6-9-14(12,13)8-5-3-4-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-chloro-5-(3-methylbutylsulfonyl)pentane?
1-chloro-5-(3-methylbutylsulfonyl)pentane has a molecular weight of 240.80 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(3-methylbutylsulfonyl)pentane is sourced from PubChem (CID 18965295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).