(2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol

C22H26O5S2 — CID 134931043

IUPAC(2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)C/C=C/C(O)CCCCC1
InChIInChI=1S/C22H26O5S2/c23-19-11-4-3-9-17-22(18-10-12-19,28(24,25)20-13-5-1-6-14-20)29(26,27)21-15-7-2-8-16-21/h1-2,5-8,10,12-16,19,23H,3-4,9,11,17-18H2/b12-10+
InChIKeyYOEHHJNWSLWYSE-ZRDIBKRKSA-N
MW434.58 g/mol
LogP3.90
Rot. Bonds4

About (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol

(2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol (PubChem CID 134931043) has the molecular formula C22H26O5S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol.

Molecular Properties

Compound Name(2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol
PubChem CID134931043
Molecular FormulaC22H26O5S2
Molecular Weight434.58 g/mol
Exact Mass434.12
IUPAC Name(2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)C/C=C/C(O)CCCCC1
InChIInChI=1S/C22H26O5S2/c23-19-11-4-3-9-17-22(18-10-12-19,28(24,25)20-13-5-1-6-14-20)29(26,27)21-15-7-2-8-16-21/h1-2,5-8,10,12-16,19,23H,3-4,9,11,17-18H2/b12-10+
InChIKeyYOEHHJNWSLWYSE-ZRDIBKRKSA-N
XLogP3.90
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
CID 5389617
4-Fluoro-4,4-bis(phenylsulfonyl)-2-butanol
CID 16083399
2,2-Bis(benzenesulfonyl)-1-cyclohexyl-2-fluoroethanol
CID 101783929
1,1-Bis(benzenesulfonyl)-1-fluoro-4-phenylbutan-2-ol
CID 101783932
trans-(1R,2R)-2-[bis(benzenesulfonyl)-fluoromethyl]cyclohexan-1-ol
CID 135070507
1,1-Bis(phenylsulfanyl)octan-2-ol
CID 12499757
1,1-Bis(benzenesulfonyl)-1-fluoroheptan-3-ol
CID 16081815
1,1-Bis(benzenesulfonyl)-1-fluorononan-3-ol
CID 169094616
1,1-Bis(benzenesulfonyl)-1-fluorotridecan-3-ol
CID 169094621
4,4-Bis(benzenesulfonyl)-4-fluorobutan-1-ol
CID 169094622
(2S,6Z,8S)-4,4-bis(benzenesulfonyl)-8-ethyl-2-hexyl-2,3,5,8-tetrahydrooxocine
CID 10918168
8-(Benzenesulfonyl)pentadecan-7-ol
CID 10970640

Frequently Asked Questions

What is the IUPAC name of (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol?
The IUPAC name of (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol (CID 134931043) is (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol.
What is the SMILES notation for (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol?
The canonical SMILES for (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol is O=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)C/C=C/C(O)CCCCC1.
What is the InChIKey of (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol?
The InChIKey is YOEHHJNWSLWYSE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H26O5S2/c23-19-11-4-3-9-17-22(18-10-12-19,28(24,25)20-13-5-1-6-14-20)29(26,27)21-15-7-2-8-16-21/h1-2,5-8,10,12-16,19,23H,3-4,9,11,17-18H2/b12-10+.
What are the key properties of (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol?
(2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol has a molecular weight of 434.58 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,5-bis(benzenesulfonyl)cyclodec-2-en-1-ol is sourced from PubChem (CID 134931043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).