1-chloro-6-(3-methoxypropylsulfonyl)hexane

C10H21ClO3S — CID 63857365

IUPAC1-chloro-6-(3-methoxypropylsulfonyl)hexane
SMILESCOCCCS(=O)(=O)CCCCCCCl
InChIInChI=1S/C10H21ClO3S/c1-14-8-6-10-15(12,13)9-5-3-2-4-7-11/h2-10H2,1H3
InChIKeySFUOYBVSAYJPKR-UHFFFAOYSA-N
MW256.79 g/mol
LogP2.24
Rot. Bonds10

About 1-chloro-6-(3-methoxypropylsulfonyl)hexane

1-chloro-6-(3-methoxypropylsulfonyl)hexane (PubChem CID 63857365) has the molecular formula C10H21ClO3S and a molecular weight of 256.79 g/mol. Its IUPAC name is 1-chloro-6-(3-methoxypropylsulfonyl)hexane.

Molecular Properties

Compound Name1-chloro-6-(3-methoxypropylsulfonyl)hexane
PubChem CID63857365
Molecular FormulaC10H21ClO3S
Molecular Weight256.79 g/mol
Exact Mass256.09
IUPAC Name1-chloro-6-(3-methoxypropylsulfonyl)hexane
SMILESCOCCCS(=O)(=O)CCCCCCCl
InChIInChI=1S/C10H21ClO3S/c1-14-8-6-10-15(12,13)9-5-3-2-4-7-11/h2-10H2,1H3
InChIKeySFUOYBVSAYJPKR-UHFFFAOYSA-N
XLogP2.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.79
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 43444494
CID 43444494
CID 43444507
CID 43444507
CID 43445958
CID 43445958
CID 43445959
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CID 60872499
CID 60872499
CID 61733700
CID 61733700
CID 61734510
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CID 61749620
CID 61749620

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(3-methoxypropylsulfonyl)hexane?
The IUPAC name of 1-chloro-6-(3-methoxypropylsulfonyl)hexane (CID 63857365) is 1-chloro-6-(3-methoxypropylsulfonyl)hexane.
What is the SMILES notation for 1-chloro-6-(3-methoxypropylsulfonyl)hexane?
The canonical SMILES for 1-chloro-6-(3-methoxypropylsulfonyl)hexane is COCCCS(=O)(=O)CCCCCCCl.
What is the InChIKey of 1-chloro-6-(3-methoxypropylsulfonyl)hexane?
The InChIKey is SFUOYBVSAYJPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO3S/c1-14-8-6-10-15(12,13)9-5-3-2-4-7-11/h2-10H2,1H3.
What are the key properties of 1-chloro-6-(3-methoxypropylsulfonyl)hexane?
1-chloro-6-(3-methoxypropylsulfonyl)hexane has a molecular weight of 256.79 g/mol, XLogP of 2.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(3-methoxypropylsulfonyl)hexane is sourced from PubChem (CID 63857365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).