ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate

C10H18O3S — CID 89339659

IUPACethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate
SMILESC/C=C\C1CCCC1S(=O)(=O)OCC
InChIInChI=1S/C10H18O3S/c1-3-6-9-7-5-8-10(9)14(11,12)13-4-2/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3-
InChIKeySIGYOPZKANAERN-UTCJRWHESA-N
MW218.32 g/mol
LogP2.10
Rot. Bonds4

About ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate

ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate (PubChem CID 89339659) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate.

Molecular Properties

Compound Nameethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate
PubChem CID89339659
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Nameethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate
SMILESC/C=C\C1CCCC1S(=O)(=O)OCC
InChIInChI=1S/C10H18O3S/c1-3-6-9-7-5-8-10(9)14(11,12)13-4-2/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3-
InChIKeySIGYOPZKANAERN-UTCJRWHESA-N
XLogP2.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate?
The IUPAC name of ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate (CID 89339659) is ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate.
What is the SMILES notation for ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate?
The canonical SMILES for ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate is C/C=C\C1CCCC1S(=O)(=O)OCC.
What is the InChIKey of ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate?
The InChIKey is SIGYOPZKANAERN-UTCJRWHESA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-6-9-7-5-8-10(9)14(11,12)13-4-2/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3-.
What are the key properties of ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate?
ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate has a molecular weight of 218.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(Z)-prop-1-enyl]cyclopentane-1-sulfonate is sourced from PubChem (CID 89339659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).