CID 136836062

C8H13O2Si — CID 136836062

IUPAC—
SMILESC=C(C)OC#CCO[Si](C)C
InChIInChI=1S/C8H13O2Si/c1-8(2)9-6-5-7-10-11(3)4/h1,7H2,2-4H3
InChIKeyWGMIGLATDQFDKI-UHFFFAOYSA-N
MW169.28 g/mol
LogP1.77
Rot. Bonds3

About CID 136836062

CID 136836062 (PubChem CID 136836062) has the molecular formula C8H13O2Si and a molecular weight of 169.28 g/mol.

Molecular Properties

Compound NameCID 136836062
PubChem CID136836062
Molecular FormulaC8H13O2Si
Molecular Weight169.28 g/mol
Exact Mass169.07
IUPAC Name—
SMILESC=C(C)OC#CCO[Si](C)C
InChIInChI=1S/C8H13O2Si/c1-8(2)9-6-5-7-10-11(3)4/h1,7H2,2-4H3
InChIKeyWGMIGLATDQFDKI-UHFFFAOYSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethynoxyprop-1-ene
CID 91353276
ethoxyethane;2-methylprop-1-ene
CID 19913928
2-prop-2-ynoxyprop-1-ene
CID 15853200
bis(2-methylprop-1-ene);propane
CID 159493997
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;tris(2-methylprop-1-ene)
CID 144520420
ethoxyethane;2-prop-1-en-2-yloxyprop-1-ene
CID 174797706
2-ethoxyethynyl 2-methylprop-2-enoate
CID 134261058
CID 14767166
CID 14767166
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433
[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 139619196

Frequently Asked Questions

What is the IUPAC name of CID 136836062?
The IUPAC name of CID 136836062 (CID 136836062) is not available.
What is the SMILES notation for CID 136836062?
The canonical SMILES for CID 136836062 is C=C(C)OC#CCO[Si](C)C.
What is the InChIKey of CID 136836062?
The InChIKey is WGMIGLATDQFDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2Si/c1-8(2)9-6-5-7-10-11(3)4/h1,7H2,2-4H3.
What are the key properties of CID 136836062?
CID 136836062 has a molecular weight of 169.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136836062 is sourced from PubChem (CID 136836062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).