(E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride

C10H17ClO2S — CID 115041900

IUPAC(E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C/C1CCCCCC1
InChIInChI=1S/C10H17ClO2S/c11-14(12,13)9-5-8-10-6-3-1-2-4-7-10/h5,8,10H,1-4,6-7,9H2/b8-5+
InChIKeyMGUNBGJLQZVCOQ-VMPITWQZSA-N
MW236.76 g/mol
LogP3.08
Rot. Bonds3

About (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride

(E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride (PubChem CID 115041900) has the molecular formula C10H17ClO2S and a molecular weight of 236.76 g/mol. Its IUPAC name is (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride
PubChem CID115041900
Molecular FormulaC10H17ClO2S
Molecular Weight236.76 g/mol
Exact Mass236.06
IUPAC Name(E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C=C/C1CCCCCC1
InChIInChI=1S/C10H17ClO2S/c11-14(12,13)9-5-8-10-6-3-1-2-4-7-10/h5,8,10H,1-4,6-7,9H2/b8-5+
InChIKeyMGUNBGJLQZVCOQ-VMPITWQZSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.76
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(1-ethylpiperidin-4-yl)prop-2-ene-1-sulfonyl chloride
CID 117267359
4-chlorobut-1-enylcyclohexane
CID 72770329
[(E)-3-cyclohexylprop-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10683958
[(E)-but-1-enyl]cyclodecane
CID 173272598
3-cyclohexylprop-2-ene-1-thiol
CID 54572501
2-cyclohexylethenylcyclohexane
CID 4124459
(Z)-4-cyclopentylbut-3-enal
CID 117268117
3-cyclopentylprop-2-en-1-amine
CID 54310760
[(E)-4-bromobut-1-enyl]cycloheptane
CID 82934609
3-cyclohexylprop-2-enyl hydrogen carbonate
CID 139900277
N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 138550952
(E)-7-cyclopentylhept-6-enoic acid
CID 20506982

Frequently Asked Questions

What is the IUPAC name of (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride?
The IUPAC name of (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride (CID 115041900) is (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride?
The canonical SMILES for (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride is O=S(=O)(Cl)C/C=C/C1CCCCCC1.
What is the InChIKey of (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride?
The InChIKey is MGUNBGJLQZVCOQ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H17ClO2S/c11-14(12,13)9-5-8-10-6-3-1-2-4-7-10/h5,8,10H,1-4,6-7,9H2/b8-5+.
What are the key properties of (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride?
(E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride has a molecular weight of 236.76 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 115041900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).