CID 164812902

C6H9OSSi — CID 164812902

IUPAC—
SMILESCC(=S)/C=C(/C)OC[Si]
InChIInChI=1S/C6H9OSSi/c1-5(7-4-9)3-6(2)8/h3H,4H2,1-2H3/b5-3-
InChIKeyFEVRYGWJIQGJEY-HYXAFXHYSA-N
MW157.29 g/mol
LogP1.42
Rot. Bonds3

About CID 164812902

CID 164812902 (PubChem CID 164812902) has the molecular formula C6H9OSSi and a molecular weight of 157.29 g/mol.

Molecular Properties

Compound NameCID 164812902
PubChem CID164812902
Molecular FormulaC6H9OSSi
Molecular Weight157.29 g/mol
Exact Mass157.01
IUPAC Name—
SMILESCC(=S)/C=C(/C)OC[Si]
InChIInChI=1S/C6H9OSSi/c1-5(7-4-9)3-6(2)8/h3H,4H2,1-2H3/b5-3-
InChIKeyFEVRYGWJIQGJEY-HYXAFXHYSA-N
XLogP1.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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4-(ethylamino)pent-3-ene-2-thione
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2-ethoxybut-2-ene;silane
CID 174428196
O-ethyl 2-sulfanylidenepropanethioate
CID 54248327
CID 164812866
CID 164812866
O-(2-ethenoxyethyl) 2-methylprop-2-enethioate
CID 139619675
1-but-2-en-2-yloxy-3-methylbutane
CID 123230570
(E)-2-(3-fluoropropoxy)but-2-ene
CID 142369968
(E)-2-prop-2-enoxybut-2-ene
CID 102099599
4-prop-2-enoxypent-3-en-2-one
CID 71367685

Frequently Asked Questions

What is the IUPAC name of CID 164812902?
The IUPAC name of CID 164812902 (CID 164812902) is not available.
What is the SMILES notation for CID 164812902?
The canonical SMILES for CID 164812902 is CC(=S)/C=C(/C)OC[Si].
What is the InChIKey of CID 164812902?
The InChIKey is FEVRYGWJIQGJEY-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9OSSi/c1-5(7-4-9)3-6(2)8/h3H,4H2,1-2H3/b5-3-.
What are the key properties of CID 164812902?
CID 164812902 has a molecular weight of 157.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164812902 is sourced from PubChem (CID 164812902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).