CID 134978464

C10H12O3Si2 — CID 134978464

IUPAC—
SMILESC=CCC1(CO)C(CO)=C([Si])C(=O)C1[Si]
InChIInChI=1S/C10H12O3Si2/c1-2-3-10(5-12)6(4-11)8(14)7(13)9(10)15/h2,9,11-12H,1,3-5H2
InChIKeyZJXBOTGKSIASSC-UHFFFAOYSA-N
MW236.37 g/mol
LogP-0.50
Rot. Bonds4

About CID 134978464

CID 134978464 (PubChem CID 134978464) has the molecular formula C10H12O3Si2 and a molecular weight of 236.37 g/mol.

Molecular Properties

Compound NameCID 134978464
PubChem CID134978464
Molecular FormulaC10H12O3Si2
Molecular Weight236.37 g/mol
Exact Mass236.03
IUPAC Name—
SMILESC=CCC1(CO)C(CO)=C([Si])C(=O)C1[Si]
InChIInChI=1S/C10H12O3Si2/c1-2-3-10(5-12)6(4-11)8(14)7(13)9(10)15/h2,9,11-12H,1,3-5H2
InChIKeyZJXBOTGKSIASSC-UHFFFAOYSA-N
XLogP-0.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
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

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(3R)-3-(hydroxymethyl)-3-prop-2-enylpyrrolidin-2-one
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CID 155676403
3-methyl-3-prop-2-enylcyclopentan-1-one
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CID 70565050
(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
CID 130147797
5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 23359507
(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one
CID 57342184
3,3,5-trimethyl-5-prop-2-enylcyclohexan-1-one
CID 14874840

Frequently Asked Questions

What is the IUPAC name of CID 134978464?
The IUPAC name of CID 134978464 (CID 134978464) is not available.
What is the SMILES notation for CID 134978464?
The canonical SMILES for CID 134978464 is C=CCC1(CO)C(CO)=C([Si])C(=O)C1[Si].
What is the InChIKey of CID 134978464?
The InChIKey is ZJXBOTGKSIASSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3Si2/c1-2-3-10(5-12)6(4-11)8(14)7(13)9(10)15/h2,9,11-12H,1,3-5H2.
What are the key properties of CID 134978464?
CID 134978464 has a molecular weight of 236.37 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134978464 is sourced from PubChem (CID 134978464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).