(Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol

C15H22O2S — CID 10539723

IUPAC(Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol
SMILESCCO/C=C(\Sc1ccccc1)C(O)C(C)(C)C
InChIInChI=1S/C15H22O2S/c1-5-17-11-13(14(16)15(2,3)4)18-12-9-7-6-8-10-12/h6-11,14,16H,5H2,1-4H3/b13-11-
InChIKeyHIOVYWGVNOAGFQ-QBFSEMIESA-N
MW266.41 g/mol
LogP4.06
Rot. Bonds5

About (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol

(Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol (PubChem CID 10539723) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol
PubChem CID10539723
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol
SMILESCCO/C=C(\Sc1ccccc1)C(O)C(C)(C)C
InChIInChI=1S/C15H22O2S/c1-5-17-11-13(14(16)15(2,3)4)18-12-9-7-6-8-10-12/h6-11,14,16H,5H2,1-4H3/b13-11-
InChIKeyHIOVYWGVNOAGFQ-QBFSEMIESA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878
(1S, 2S, 7S)-2,7-Dimethyl-4-phenylsulfanylcyclohepta-3,5-dienol
CID 11207350
(3R)-1-phenylsulfanylpentan-3-ol
CID 12836446
(E)-5-ethoxy-6,6,7,7,7-pentafluoro-2,2-dimethyl-4-phenylsulfanylhept-4-en-3-ol
CID 10786243
(E)-2-ethoxy-1,1,1-trifluoro-7,7-dimethyl-3-phenylsulfanyloct-2-en-5-yn-4-ol
CID 10808324
(E)-5-ethoxy-6,6,6-trifluoro-2,2-dimethyl-4-phenylsulfanylhex-4-en-3-ol
CID 10854172
3-(Benzenesulfonyl)-3-methylbutan-2-ol
CID 57146098
(3S)-1-phenylsulfanylpentan-3-ol
CID 10867262
(Z)-1-ethoxy-4,4-dimethyl-2-phenyltellanylpent-1-en-3-ol
CID 11302916
(E,2R,5S)-5-(benzenesulfonyl)-6,6-dimethylhept-3-en-2-ol
CID 11335052
(E)-1-ethoxy-4,4-dimethyl-2-phenyltellanylpent-1-en-3-ol
CID 11337394
6-Methyl-6-phenylsulfanylhept-1-en-3-ol
CID 11345390

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol (CID 10539723) is (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol is CCO/C=C(\Sc1ccccc1)C(O)C(C)(C)C.
What is the InChIKey of (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol?
The InChIKey is HIOVYWGVNOAGFQ-QBFSEMIESA-N. The full InChI is InChI=1S/C15H22O2S/c1-5-17-11-13(14(16)15(2,3)4)18-12-9-7-6-8-10-12/h6-11,14,16H,5H2,1-4H3/b13-11-.
What are the key properties of (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol?
(Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol has a molecular weight of 266.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-4,4-dimethyl-2-phenylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 10539723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).