1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol

C18H26OSSi — CID 11347715

IUPAC1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol
SMILESC[Si](C)(C)C#CCCCC(O)C1(Sc2ccccc2)CC1
InChIInChI=1S/C18H26OSSi/c1-21(2,3)15-9-5-8-12-17(19)18(13-14-18)20-16-10-6-4-7-11-16/h4,6-7,10-11,17,19H,5,8,12-14H2,1-3H3
InChIKeyGLGTVSYBWNRVFD-UHFFFAOYSA-N
MW318.56 g/mol
LogP4.72
Rot. Bonds6

About 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol

1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol (PubChem CID 11347715) has the molecular formula C18H26OSSi and a molecular weight of 318.56 g/mol. Its IUPAC name is 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol.

Molecular Properties

Compound Name1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol
PubChem CID11347715
Molecular FormulaC18H26OSSi
Molecular Weight318.56 g/mol
Exact Mass318.15
IUPAC Name1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol
SMILESC[Si](C)(C)C#CCCCC(O)C1(Sc2ccccc2)CC1
InChIInChI=1S/C18H26OSSi/c1-21(2,3)15-9-5-8-12-17(19)18(13-14-18)20-16-10-6-4-7-11-16/h4,6-7,10-11,17,19H,5,8,12-14H2,1-3H3
InChIKeyGLGTVSYBWNRVFD-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol?
The IUPAC name of 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol (CID 11347715) is 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol.
What is the SMILES notation for 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol?
The canonical SMILES for 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol is C[Si](C)(C)C#CCCCC(O)C1(Sc2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol?
The InChIKey is GLGTVSYBWNRVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26OSSi/c1-21(2,3)15-9-5-8-12-17(19)18(13-14-18)20-16-10-6-4-7-11-16/h4,6-7,10-11,17,19H,5,8,12-14H2,1-3H3.
What are the key properties of 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol?
1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol has a molecular weight of 318.56 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanylcyclopropyl)-6-trimethylsilylhex-5-yn-1-ol is sourced from PubChem (CID 11347715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).