2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride

C12H23ClO3S — CID 65003827

IUPAC2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride
SMILESCCC(CC)(COC1CCCC1)CS(=O)(=O)Cl
InChIInChI=1S/C12H23ClO3S/c1-3-12(4-2,10-17(13,14)15)9-16-11-7-5-6-8-11/h11H,3-10H2,1-2H3
InChIKeyZRRPLKKFUNAOQN-UHFFFAOYSA-N
MW282.83 g/mol
LogP3.32
Rot. Bonds7

About 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride

2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride (PubChem CID 65003827) has the molecular formula C12H23ClO3S and a molecular weight of 282.83 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride
PubChem CID65003827
Molecular FormulaC12H23ClO3S
Molecular Weight282.83 g/mol
Exact Mass282.11
IUPAC Name2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride
SMILESCCC(CC)(COC1CCCC1)CS(=O)(=O)Cl
InChIInChI=1S/C12H23ClO3S/c1-3-12(4-2,10-17(13,14)15)9-16-11-7-5-6-8-11/h11H,3-10H2,1-2H3
InChIKeyZRRPLKKFUNAOQN-UHFFFAOYSA-N
XLogP3.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.83
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride?
The IUPAC name of 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride (CID 65003827) is 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride?
The canonical SMILES for 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride is CCC(CC)(COC1CCCC1)CS(=O)(=O)Cl.
What is the InChIKey of 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride?
The InChIKey is ZRRPLKKFUNAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO3S/c1-3-12(4-2,10-17(13,14)15)9-16-11-7-5-6-8-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride?
2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride has a molecular weight of 282.83 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethyl)-2-ethylbutane-1-sulfonyl chloride is sourced from PubChem (CID 65003827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).