3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol

C16H26OSSi — CID 14545576

IUPAC3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol
SMILESC=CC(Sc1ccccc1)(C(O)CCC)[Si](C)(C)C
InChIInChI=1S/C16H26OSSi/c1-6-11-15(17)16(7-2,19(3,4)5)18-14-12-9-8-10-13-14/h7-10,12-13,15,17H,2,6,11H2,1,3-5H3
InChIKeyCGWBTVZVRCWZGJ-UHFFFAOYSA-N
MW294.54 g/mol
LogP4.74
Rot. Bonds7

About 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol

3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol (PubChem CID 14545576) has the molecular formula C16H26OSSi and a molecular weight of 294.54 g/mol. Its IUPAC name is 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol.

Molecular Properties

Compound Name3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol
PubChem CID14545576
Molecular FormulaC16H26OSSi
Molecular Weight294.54 g/mol
Exact Mass294.15
IUPAC Name3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol
SMILESC=CC(Sc1ccccc1)(C(O)CCC)[Si](C)(C)C
InChIInChI=1S/C16H26OSSi/c1-6-11-15(17)16(7-2,19(3,4)5)18-14-12-9-8-10-13-14/h7-10,12-13,15,17H,2,6,11H2,1,3-5H3
InChIKeyCGWBTVZVRCWZGJ-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
(s)-(+)-5-(Phenylthio)-2-pentanol
CID 10012926
(2S,3S)-3-phenylsulfanylbutan-2-ol
CID 15505655
2-Butanol, 1-(phenylthio)-, (R)-
CID 22216311
(s)-(+)-4-(Phenylthio)-2-butanol
CID 10397449
(r)-(-)-4-(Phenylthio)-2-butanol
CID 11137767
(1S, 2S, 7S)-2,7-Dimethyl-4-phenylsulfanylcyclohepta-3,5-dienol
CID 11207350
(3R)-1-phenylsulfanylpentan-3-ol
CID 12836446
(1S,2S)-2-phenylsulfanylcyclopent-3-en-1-ol
CID 13174092
1-Phenylsulfanylhex-5-en-2-ol
CID 65141970
1-Phenylsulfanylpentan-1-ol
CID 67695218

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol?
The IUPAC name of 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol (CID 14545576) is 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol.
What is the SMILES notation for 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol?
The canonical SMILES for 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol is C=CC(Sc1ccccc1)(C(O)CCC)[Si](C)(C)C.
What is the InChIKey of 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol?
The InChIKey is CGWBTVZVRCWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OSSi/c1-6-11-15(17)16(7-2,19(3,4)5)18-14-12-9-8-10-13-14/h7-10,12-13,15,17H,2,6,11H2,1,3-5H3.
What are the key properties of 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol?
3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol has a molecular weight of 294.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-3-trimethylsilylhept-1-en-4-ol is sourced from PubChem (CID 14545576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).