CID 174929584

C13H27O2Si — CID 174929584

IUPAC—
SMILESC=C(C)C(=O)O.CC(C)[Si](C(C)C)C(C)C
InChIInChI=1S/C9H21Si.C4H6O2/c1-7(2)10(8(3)4)9(5)6;1-3(2)4(5)6/h7-9H,1-6H3;1H2,2H3,(H,5,6)
InChIKeySQPZQOVVOGBEGH-UHFFFAOYSA-N
MW243.44 g/mol
LogP4.36
Rot. Bonds4

About CID 174929584

CID 174929584 (PubChem CID 174929584) has the molecular formula C13H27O2Si and a molecular weight of 243.44 g/mol.

Molecular Properties

Compound NameCID 174929584
PubChem CID174929584
Molecular FormulaC13H27O2Si
Molecular Weight243.44 g/mol
Exact Mass243.18
IUPAC Name—
SMILESC=C(C)C(=O)O.CC(C)[Si](C(C)C)C(C)C
InChIInChI=1S/C9H21Si.C4H6O2/c1-7(2)10(8(3)4)9(5)6;1-3(2)4(5)6/h7-9H,1-6H3;1H2,2H3,(H,5,6)
InChIKeySQPZQOVVOGBEGH-UHFFFAOYSA-N
XLogP4.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 173012443
2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)
CID 175340014
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719
dilithium;hydride;2-methylprop-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 174929584?
The IUPAC name of CID 174929584 (CID 174929584) is not available.
What is the SMILES notation for CID 174929584?
The canonical SMILES for CID 174929584 is C=C(C)C(=O)O.CC(C)[Si](C(C)C)C(C)C.
What is the InChIKey of CID 174929584?
The InChIKey is SQPZQOVVOGBEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21Si.C4H6O2/c1-7(2)10(8(3)4)9(5)6;1-3(2)4(5)6/h7-9H,1-6H3;1H2,2H3,(H,5,6).
What are the key properties of CID 174929584?
CID 174929584 has a molecular weight of 243.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174929584 is sourced from PubChem (CID 174929584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).