(Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol

C20H32O2S — CID 102376298

IUPAC(Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol
SMILESCCCC[C@H](O)/C=C(/[C@H](C)CCCC)S(=O)c1ccc(C)cc1
InChIInChI=1S/C20H32O2S/c1-5-7-9-17(4)20(15-18(21)10-8-6-2)23(22)19-13-11-16(3)12-14-19/h11-15,17-18,21H,5-10H2,1-4H3/b20-15-/t17-,18+,23?/m1/s1
InChIKeyCQYXEEQREOHEHH-HUGBXFFCSA-N
MW336.54 g/mol
LogP5.36
Rot. Bonds10

About (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol

(Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol (PubChem CID 102376298) has the molecular formula C20H32O2S and a molecular weight of 336.54 g/mol. Its IUPAC name is (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol.

Molecular Properties

Compound Name(Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol
PubChem CID102376298
Molecular FormulaC20H32O2S
Molecular Weight336.54 g/mol
Exact Mass336.21
IUPAC Name(Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol
SMILESCCCC[C@H](O)/C=C(/[C@H](C)CCCC)S(=O)c1ccc(C)cc1
InChIInChI=1S/C20H32O2S/c1-5-7-9-17(4)20(15-18(21)10-8-6-2)23(22)19-13-11-16(3)12-14-19/h11-15,17-18,21H,5-10H2,1-4H3/b20-15-/t17-,18+,23?/m1/s1
InChIKeyCQYXEEQREOHEHH-HUGBXFFCSA-N
XLogP5.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z,5S,8R)-8-ethyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol
CID 102376299
(Z,2S,5R)-3-(4-methylphenyl)sulfinyl-2-phenylnon-3-en-5-ol
CID 102376307
(5R,6E,8E)-7-(4-methylphenyl)sulfinyldodeca-6,8-dien-5-ol
CID 102091567
(E)-2-methyl-4-(4-methylphenyl)sulfinyldec-3-en-5-one
CID 102516236
(Z,1S)-2-(4-methylphenyl)sulfinyl-1-phenylhept-2-en-1-ol
CID 101210456
(3R)-3-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]-2-phenylethenyl]heptanal
CID 11256752
(E,3S)-4-methyl-2-(4-methylphenyl)sulfinyl-1-trimethylsilylpent-1-en-3-ol
CID 23245902
(2R,3R)-2-(hydroxymethyl)-3-[(Z)-1-(4-methylphenyl)sulfinyl-2-phenylethenyl]heptanal
CID 102034953
(2R,3S,4R)-3-methyl-1-(4-methylphenyl)sulfinyldecane-2,4-diol
CID 102414482
(3S,4E)-4-(4-methylphenyl)sulfinylhepta-4,6-dien-3-ol
CID 177438226
1-[(E)-1-bromohex-1-enyl]sulfinyl-4-methylbenzene
CID 177431427
1-[(S)-[(E)-1-iodo-2-methylhex-1-enyl]sulfinyl]-4-methylbenzene
CID 10713647

Frequently Asked Questions

What is the IUPAC name of (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol?
The IUPAC name of (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol (CID 102376298) is (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol.
What is the SMILES notation for (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol?
The canonical SMILES for (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol is CCCC[C@H](O)/C=C(/[C@H](C)CCCC)S(=O)c1ccc(C)cc1.
What is the InChIKey of (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol?
The InChIKey is CQYXEEQREOHEHH-HUGBXFFCSA-N. The full InChI is InChI=1S/C20H32O2S/c1-5-7-9-17(4)20(15-18(21)10-8-6-2)23(22)19-13-11-16(3)12-14-19/h11-15,17-18,21H,5-10H2,1-4H3/b20-15-/t17-,18+,23?/m1/s1.
What are the key properties of (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol?
(Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol has a molecular weight of 336.54 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S,8R)-8-methyl-7-(4-methylphenyl)sulfinyldodec-6-en-5-ol is sourced from PubChem (CID 102376298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).