(Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol

C17H26O2S — CID 51031826

IUPAC(Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol
SMILESCCCCCC/C=C\[C@H](O)C[S@](=O)c1ccc(C)cc1
InChIInChI=1S/C17H26O2S/c1-3-4-5-6-7-8-9-16(18)14-20(19)17-12-10-15(2)11-13-17/h8-13,16,18H,3-7,14H2,1-2H3/b9-8-/t16-,20-/m0/s1
InChIKeyGMGBVCPFJCRVPH-WRAUFUANSA-N
MW294.46 g/mol
LogP3.99
Rot. Bonds9

About (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol

(Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol (PubChem CID 51031826) has the molecular formula C17H26O2S and a molecular weight of 294.46 g/mol. Its IUPAC name is (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol.

Molecular Properties

Compound Name(Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol
PubChem CID51031826
Molecular FormulaC17H26O2S
Molecular Weight294.46 g/mol
Exact Mass294.17
IUPAC Name(Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol
SMILESCCCCCC/C=C\[C@H](O)C[S@](=O)c1ccc(C)cc1
InChIInChI=1S/C17H26O2S/c1-3-4-5-6-7-8-9-16(18)14-20(19)17-12-10-15(2)11-13-17/h8-13,16,18H,3-7,14H2,1-2H3/b9-8-/t16-,20-/m0/s1
InChIKeyGMGBVCPFJCRVPH-WRAUFUANSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(R)-octylsulfinyl]benzene
CID 135058529
(E)-3-methyl-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-one
CID 51031978
(2R,3R,11Z)-3-hydroxy-2-(4-methylphenyl)sulfinylicosa-11,14-dienoic acid
CID 67916864
(2R,3S,4S)-3,4-dimethyl-1-[(R)-(4-methylphenyl)sulfinyl]decane-2,3-diol
CID 51032571
(2S)-1-[(R)-(4-methylphenyl)sulfinyl]hept-3-yn-2-ol
CID 10966931
(Z,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
CID 100945072
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
henicos-7-en-6-ol
CID 91409967
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
(E)-1-aminodec-3-en-2-ol
CID 101275263
undec-5-en-4-ol
CID 73071371
(E)-1-(4-chlorophenyl)non-2-en-1-ol
CID 11184335

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol?
The IUPAC name of (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol (CID 51031826) is (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol.
What is the SMILES notation for (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol?
The canonical SMILES for (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol is CCCCCC/C=C\[C@H](O)C[S@](=O)c1ccc(C)cc1.
What is the InChIKey of (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol?
The InChIKey is GMGBVCPFJCRVPH-WRAUFUANSA-N. The full InChI is InChI=1S/C17H26O2S/c1-3-4-5-6-7-8-9-16(18)14-20(19)17-12-10-15(2)11-13-17/h8-13,16,18H,3-7,14H2,1-2H3/b9-8-/t16-,20-/m0/s1.
What are the key properties of (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol?
(Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol has a molecular weight of 294.46 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-1-[(S)-(4-methylphenyl)sulfinyl]dec-3-en-2-ol is sourced from PubChem (CID 51031826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).