1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol

C8H14OSSi — CID 176537455

IUPAC1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol
SMILESC=C=C(S)C1([SiH3])CCCCO1
InChIInChI=1S/C8H14OSSi/c1-2-7(10)8(11)5-3-4-6-9-8/h10H,1,3-6H2,11H3
InChIKeyXFORFBGJYPHIFL-UHFFFAOYSA-N
MW186.35 g/mol
LogP0.85
Rot. Bonds1

About 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol

1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol (PubChem CID 176537455) has the molecular formula C8H14OSSi and a molecular weight of 186.35 g/mol. Its IUPAC name is 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol.

Molecular Properties

Compound Name1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol
PubChem CID176537455
Molecular FormulaC8H14OSSi
Molecular Weight186.35 g/mol
Exact Mass186.05
IUPAC Name1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol
SMILESC=C=C(S)C1([SiH3])CCCCO1
InChIInChI=1S/C8H14OSSi/c1-2-7(10)8(11)5-3-4-6-9-8/h10H,1,3-6H2,11H3
InChIKeyXFORFBGJYPHIFL-UHFFFAOYSA-N
XLogP0.85
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one
CID 174738862
methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
CID 174530611
hydron;(2-silyloxan-2-yl)silane
CID 174620661
[2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane
CID 123986696
(2-silyloxan-2-yl)oxyboronic acid
CID 123818208
(2-dimethylboranyloxan-2-yl)silane
CID 173367313
(2-propan-2-yloxan-2-yl)silane
CID 123630971
N-(2-silyloxan-2-yl)hydroxylamine
CID 173073267
(2-chlorooxan-2-yl)silane
CID 123341870
(2-bromooxan-2-yl)silane
CID 174600222
(2-silyloxan-2-yl)phosphane
CID 123679001
CID 173426758
CID 173426758

Frequently Asked Questions

What is the IUPAC name of 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol?
The IUPAC name of 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol (CID 176537455) is 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol.
What is the SMILES notation for 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol?
The canonical SMILES for 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol is C=C=C(S)C1([SiH3])CCCCO1.
What is the InChIKey of 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol?
The InChIKey is XFORFBGJYPHIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OSSi/c1-2-7(10)8(11)5-3-4-6-9-8/h10H,1,3-6H2,11H3.
What are the key properties of 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol?
1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol has a molecular weight of 186.35 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol is sourced from PubChem (CID 176537455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).