2-(cyclopentylmethoxy)ethanesulfonyl chloride

C8H15ClO3S — CID 66324010

IUPAC2-(cyclopentylmethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCC1CCCC1
InChIInChI=1S/C8H15ClO3S/c9-13(10,11)6-5-12-7-8-3-1-2-4-8/h8H,1-7H2
InChIKeyXUULMOBJJUZANO-UHFFFAOYSA-N
MW226.72 g/mol
LogP1.76
Rot. Bonds5

About 2-(cyclopentylmethoxy)ethanesulfonyl chloride

2-(cyclopentylmethoxy)ethanesulfonyl chloride (PubChem CID 66324010) has the molecular formula C8H15ClO3S and a molecular weight of 226.72 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)ethanesulfonyl chloride
PubChem CID66324010
Molecular FormulaC8H15ClO3S
Molecular Weight226.72 g/mol
Exact Mass226.04
IUPAC Name2-(cyclopentylmethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCC1CCCC1
InChIInChI=1S/C8H15ClO3S/c9-13(10,11)6-5-12-7-8-3-1-2-4-8/h8H,1-7H2
InChIKeyXUULMOBJJUZANO-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(Methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
3-(Oxan-4-yl)propane-1-sulfonyl chloride
CID 83709845
2-Cyclopentyl-2-methoxyethane-1-sulfonyl chloride
CID 105484260
3-(Oxolan-3-yl)propane-1-sulfonyl chloride
CID 122163366
2-(Oxan-3-yl)ethane-1-sulfonyl chloride
CID 130757865
2-(Cyclopentylmethoxy)ethane-1-sulfonyl fluoride
CID 137949148
3-(Oxolan-3-yl)propane-1-sulfonyl fluoride
CID 165459360
2-Ethylhexyl cyclopentanesulfonate
CID 22436842
2-(Oxolan-3-yl)ethane-1-sulfonyl chloride
CID 83485205
2-(Cyclopentylmethoxy)propane-1-sulfonyl chloride
CID 164842569
4-(2-Ethylhexoxy)butane-1-sulfonyl chloride
CID 64198197
3-((2-Ethylhexyl)oxy)propane-1-sulfonyl chloride
CID 64198198

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(cyclopentylmethoxy)ethanesulfonyl chloride (CID 66324010) is 2-(cyclopentylmethoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(cyclopentylmethoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(cyclopentylmethoxy)ethanesulfonyl chloride is O=S(=O)(Cl)CCOCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxy)ethanesulfonyl chloride?
The InChIKey is XUULMOBJJUZANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3S/c9-13(10,11)6-5-12-7-8-3-1-2-4-8/h8H,1-7H2.
What are the key properties of 2-(cyclopentylmethoxy)ethanesulfonyl chloride?
2-(cyclopentylmethoxy)ethanesulfonyl chloride has a molecular weight of 226.72 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)ethanesulfonyl chloride is sourced from PubChem (CID 66324010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).