(Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol

C28H46OSSi — CID 139252417

IUPAC(Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol
SMILESCC(C)[Si](C#C/C=C(/CCCCCCCCCO)Sc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C28H46OSSi/c1-24(2)31(25(3)4,26(5)6)23-17-21-28(30-27-19-14-12-15-20-27)18-13-10-8-7-9-11-16-22-29/h12,14-15,19-21,24-26,29H,7-11,13,16,18,22H2,1-6H3/b28-21-
InChIKeyVVGTZDQFFYGGRG-HFTWOUSFSA-N
MW458.83 g/mol
LogP9.00
Rot. Bonds14

About (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol

(Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol (PubChem CID 139252417) has the molecular formula C28H46OSSi and a molecular weight of 458.83 g/mol. Its IUPAC name is (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol.

Molecular Properties

Compound Name(Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol
PubChem CID139252417
Molecular FormulaC28H46OSSi
Molecular Weight458.83 g/mol
Exact Mass458.30
IUPAC Name(Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol
SMILESCC(C)[Si](C#C/C=C(/CCCCCCCCCO)Sc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C28H46OSSi/c1-24(2)31(25(3)4,26(5)6)23-17-21-28(30-27-19-14-12-15-20-27)18-13-10-8-7-9-11-16-22-29/h12,14-15,19-21,24-26,29H,7-11,13,16,18,22H2,1-6H3/b28-21-
InChIKeyVVGTZDQFFYGGRG-HFTWOUSFSA-N
XLogP9.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 59.00
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'}

Analyze (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol?
The IUPAC name of (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol (CID 139252417) is (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol.
What is the SMILES notation for (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol?
The canonical SMILES for (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol is CC(C)[Si](C#C/C=C(/CCCCCCCCCO)Sc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol?
The InChIKey is VVGTZDQFFYGGRG-HFTWOUSFSA-N. The full InChI is InChI=1S/C28H46OSSi/c1-24(2)31(25(3)4,26(5)6)23-17-21-28(30-27-19-14-12-15-20-27)18-13-10-8-7-9-11-16-22-29/h12,14-15,19-21,24-26,29H,7-11,13,16,18,22H2,1-6H3/b28-21-.
What are the key properties of (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol?
(Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol has a molecular weight of 458.83 g/mol, XLogP of 9.00, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10-phenylsulfanyl-13-tri(propan-2-yl)silyltridec-10-en-12-yn-1-ol is sourced from PubChem (CID 139252417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).