(E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol

C23H36OS4Si — CID 134949001

IUPAC(E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol
SMILESC[Si](C)(C)C1(C/C=C/C(O)CC2(Cc3ccccc3)SCCCS2)SCCCS1
InChIInChI=1S/C23H36OS4Si/c1-29(2,3)23(27-16-9-17-28-23)13-7-12-21(24)19-22(25-14-8-15-26-22)18-20-10-5-4-6-11-20/h4-7,10-12,21,24H,8-9,13-19H2,1-3H3/b12-7+
InChIKeyRTPOZXCRDGZJAP-KPKJPENVSA-N
MW484.89 g/mol
LogP6.94
Rot. Bonds8

About (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol

(E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol (PubChem CID 134949001) has the molecular formula C23H36OS4Si and a molecular weight of 484.89 g/mol. Its IUPAC name is (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol
PubChem CID134949001
Molecular FormulaC23H36OS4Si
Molecular Weight484.89 g/mol
Exact Mass484.14
IUPAC Name(E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol
SMILESC[Si](C)(C)C1(C/C=C/C(O)CC2(Cc3ccccc3)SCCCS2)SCCCS1
InChIInChI=1S/C23H36OS4Si/c1-29(2,3)23(27-16-9-17-28-23)13-7-12-21(24)19-22(25-14-8-15-26-22)18-20-10-5-4-6-11-20/h4-7,10-12,21,24H,8-9,13-19H2,1-3H3/b12-7+
InChIKeyRTPOZXCRDGZJAP-KPKJPENVSA-N
XLogP6.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.89
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-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

[2-(1,3-Dithian-2-ylidenemethyl)-1,3-dithian-2-yl]-phenylmethanol
CID 14508421
(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
CID 11015561
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(E)-2-phenylethenyl]-1,3-dithian-2-yl]hept-6-en-2-ol
CID 11677043
1-Phenyl-2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol
CID 14508433
(2R,4S)-1,5-bis(2-phenyl-1,3-dithian-2-yl)pentane-2,4-diol
CID 57327356
(E,2R)-1-[2-[(2R,4E)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylocta-4,7-dienyl]-1,3-dithian-2-yl]-5-methyl-7-phenylhept-5-en-2-ol
CID 59053274
(1S)-1-(4-methylphenyl)-2-[2-[(2S)-2-(4-methylphenyl)-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
CID 135068615
(E)-6-(1,3-dithian-2-ylidene)-6-fluoro-5-methyl-1-phenylhex-4-en-3-ol
CID 11438735
1-(2-Methyl-1,3-dithian-2-yl)-3-phenylpropan-1-ol
CID 11054688
4-(1,3-Dithian-2-yl)-5-phenylpentan-2-ol
CID 18681978
(2S,4R)-4-(1,3-dithian-2-yl)-5-phenylpentan-2-ol
CID 59040211
1-(2-Phenyl-1,3-dithian-2-yl)hexan-1-ol
CID 91576038

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol?
The IUPAC name of (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol (CID 134949001) is (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol.
What is the SMILES notation for (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol?
The canonical SMILES for (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol is C[Si](C)(C)C1(C/C=C/C(O)CC2(Cc3ccccc3)SCCCS2)SCCCS1.
What is the InChIKey of (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol?
The InChIKey is RTPOZXCRDGZJAP-KPKJPENVSA-N. The full InChI is InChI=1S/C23H36OS4Si/c1-29(2,3)23(27-16-9-17-28-23)13-7-12-21(24)19-22(25-14-8-15-26-22)18-20-10-5-4-6-11-20/h4-7,10-12,21,24H,8-9,13-19H2,1-3H3/b12-7+.
What are the key properties of (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol?
(E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol has a molecular weight of 484.89 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-benzyl-1,3-dithian-2-yl)-5-(2-trimethylsilyl-1,3-dithian-2-yl)pent-3-en-2-ol is sourced from PubChem (CID 134949001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).