(2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol

C15H30OS2Si — CID 134942308

IUPAC(2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol
SMILESC=CC[C@H](O)CC1([Si](CC)(CC)CC)SCCCS1
InChIInChI=1S/C15H30OS2Si/c1-5-10-14(16)13-15(17-11-9-12-18-15)19(6-2,7-3)8-4/h5,14,16H,1,6-13H2,2-4H3/t14-/m0/s1
InChIKeyDZJFGMZQAZJFGW-AWEZNQCLSA-N
MW318.62 g/mol
LogP4.93
Rot. Bonds8

About (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol

(2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol (PubChem CID 134942308) has the molecular formula C15H30OS2Si and a molecular weight of 318.62 g/mol. Its IUPAC name is (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol
PubChem CID134942308
Molecular FormulaC15H30OS2Si
Molecular Weight318.62 g/mol
Exact Mass318.15
IUPAC Name(2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol
SMILESC=CC[C@H](O)CC1([Si](CC)(CC)CC)SCCCS1
InChIInChI=1S/C15H30OS2Si/c1-5-10-14(16)13-15(17-11-9-12-18-15)19(6-2,7-3)8-4/h5,14,16H,1,6-13H2,2-4H3/t14-/m0/s1
InChIKeyDZJFGMZQAZJFGW-AWEZNQCLSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.62
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 11117182
[(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-triethylsilane
CID 11336143
(Z,3R)-1,1,1-tris(ethylsulfanyl)-6-trimethylsilylhex-5-en-3-ol
CID 46944471
(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 101526097
(Z)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol
CID 101394701
(E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol
CID 102352125
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-yl]oxy-dimethylsilane
CID 157938966
(E)-1-(1,3-dithian-2-yl)hex-4-en-2-ol
CID 101394705
(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-ol
CID 101953092
1-(5,6-Dimethyl-1,4-dithian-2-yl)but-3-en-1-ol
CID 103345325

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol?
The IUPAC name of (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol (CID 134942308) is (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol.
What is the SMILES notation for (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol?
The canonical SMILES for (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol is C=CC[C@H](O)CC1([Si](CC)(CC)CC)SCCCS1.
What is the InChIKey of (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol?
The InChIKey is DZJFGMZQAZJFGW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30OS2Si/c1-5-10-14(16)13-15(17-11-9-12-18-15)19(6-2,7-3)8-4/h5,14,16H,1,6-13H2,2-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol?
(2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol has a molecular weight of 318.62 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol is sourced from PubChem (CID 134942308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).