(1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride

C7H11ClO2S — CID 123215534

IUPAC(1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride
SMILESCC=C/C(=C\S(=O)(=O)Cl)CC
InChIInChI=1S/C7H11ClO2S/c1-3-5-7(4-2)6-11(8,9)10/h3,5-6H,4H2,1-2H3/b5-3?,7-6-
InChIKeyAMRYJFJIILVAMT-YNKXJOLCSA-N
MW194.68 g/mol
LogP2.42
Rot. Bonds3

About (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride

(1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride (PubChem CID 123215534) has the molecular formula C7H11ClO2S and a molecular weight of 194.68 g/mol. Its IUPAC name is (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name(1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride
PubChem CID123215534
Molecular FormulaC7H11ClO2S
Molecular Weight194.68 g/mol
Exact Mass194.02
IUPAC Name(1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride
SMILESCC=C/C(=C\S(=O)(=O)Cl)CC
InChIInChI=1S/C7H11ClO2S/c1-3-5-7(4-2)6-11(8,9)10/h3,5-6H,4H2,1-2H3/b5-3?,7-6-
InChIKeyAMRYJFJIILVAMT-YNKXJOLCSA-N
XLogP2.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.68
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine
CID 144719096
N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide
CID 166958378
(4Z,6E)-5-chloroocta-4,6-dien-3-one
CID 15719472
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216
(2E,4Z)-3-(hydroperoxymethyl)hexa-2,4-diene
CID 89084201
(1E)-2,5-dimethylhexa-1,4-diene-1-sulfonyl chloride
CID 123740144
but-2-enoic acid;pentan-3-one
CID 173308572
(2E,4E)-4-ethylhexa-2,4-dienoic acid
CID 10942523
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
4-chloro-5-methylhepta-2,4-diene
CID 123851314
butan-2-one;bis((E)-pent-3-en-2-one);propan-2-one
CID 157357087

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride?
The IUPAC name of (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride (CID 123215534) is (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride.
What is the SMILES notation for (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride?
The canonical SMILES for (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride is CC=C/C(=C\S(=O)(=O)Cl)CC.
What is the InChIKey of (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride?
The InChIKey is AMRYJFJIILVAMT-YNKXJOLCSA-N. The full InChI is InChI=1S/C7H11ClO2S/c1-3-5-7(4-2)6-11(8,9)10/h3,5-6H,4H2,1-2H3/b5-3?,7-6-.
What are the key properties of (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride?
(1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride has a molecular weight of 194.68 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride is sourced from PubChem (CID 123215534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).