4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol

C15H22OSSi — CID 10779007

IUPAC4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
SMILESCC(O)CC(C#C[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C15H22OSSi/c1-13(16)12-15(10-11-18(2,3)4)17-14-8-6-5-7-9-14/h5-9,13,15-16H,12H2,1-4H3
InChIKeyLEANSXINZQAJBL-UHFFFAOYSA-N
MW278.49 g/mol
LogP3.80
Rot. Bonds4

About 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol

4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol (PubChem CID 10779007) has the molecular formula C15H22OSSi and a molecular weight of 278.49 g/mol. Its IUPAC name is 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol.

Molecular Properties

Compound Name4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
PubChem CID10779007
Molecular FormulaC15H22OSSi
Molecular Weight278.49 g/mol
Exact Mass278.12
IUPAC Name4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol
SMILESCC(O)CC(C#C[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C15H22OSSi/c1-13(16)12-15(10-11-18(2,3)4)17-14-8-6-5-7-9-14/h5-9,13,15-16H,12H2,1-4H3
InChIKeyLEANSXINZQAJBL-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
5-Phenylsulfanylpentan-1-ol
CID 346015
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
2-(Phenylsulfanyl)propan-1-ol
CID 15563453
3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878
(s)-(+)-5-(Phenylthio)-2-pentanol
CID 10012926
(s)-3-Phenylthio-2-propanol
CID 10855897
3-(Phenylsulfanyl)-4-penten-1-OL
CID 14141654
(2S,3S)-3-phenylsulfanylbutan-2-ol
CID 15505655

Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
The IUPAC name of 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol (CID 10779007) is 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol.
What is the SMILES notation for 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
The canonical SMILES for 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol is CC(O)CC(C#C[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
The InChIKey is LEANSXINZQAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSSi/c1-13(16)12-15(10-11-18(2,3)4)17-14-8-6-5-7-9-14/h5-9,13,15-16H,12H2,1-4H3.
What are the key properties of 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol?
4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol has a molecular weight of 278.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-6-trimethylsilylhex-5-yn-2-ol is sourced from PubChem (CID 10779007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).