(E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol

C14H28OS2Si — CID 102352125

IUPAC(E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol
SMILESC/C=C(\CC(O)CC1SCCCS1)C[Si](C)(C)C
InChIInChI=1S/C14H28OS2Si/c1-5-12(11-18(2,3)4)9-13(15)10-14-16-7-6-8-17-14/h5,13-15H,6-11H2,1-4H3/b12-5+
InChIKeyWVOVJUADEWEUSI-LFYBBSHMSA-N
MW304.60 g/mol
LogP4.61
Rot. Bonds6

About (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol

(E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol (PubChem CID 102352125) has the molecular formula C14H28OS2Si and a molecular weight of 304.60 g/mol. Its IUPAC name is (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol.

Molecular Properties

Compound Name(E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol
PubChem CID102352125
Molecular FormulaC14H28OS2Si
Molecular Weight304.60 g/mol
Exact Mass304.14
IUPAC Name(E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol
SMILESC/C=C(\CC(O)CC1SCCCS1)C[Si](C)(C)C
InChIInChI=1S/C14H28OS2Si/c1-5-12(11-18(2,3)4)9-13(15)10-14-16-7-6-8-17-14/h5,13-15H,6-11H2,1-4H3/b12-5+
InChIKeyWVOVJUADEWEUSI-LFYBBSHMSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 54.61
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-(2-triethylsilyl-1,3-dithian-2-yl)pent-4-en-2-ol
CID 134942308
(Z)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol
CID 101394701
4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol
CID 10380216
(2R,4E)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)octa-4,7-dien-2-ol
CID 50941121
(2S)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)pent-4-en-2-ol
CID 101953092

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol?
The IUPAC name of (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol (CID 102352125) is (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol.
What is the SMILES notation for (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol?
The canonical SMILES for (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol is C/C=C(\CC(O)CC1SCCCS1)C[Si](C)(C)C.
What is the InChIKey of (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol?
The InChIKey is WVOVJUADEWEUSI-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H28OS2Si/c1-5-12(11-18(2,3)4)9-13(15)10-14-16-7-6-8-17-14/h5,13-15H,6-11H2,1-4H3/b12-5+.
What are the key properties of (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol?
(E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol has a molecular weight of 304.60 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol is sourced from PubChem (CID 102352125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).