CID 87586544

C6H9O2Si — CID 87586544

IUPAC—
SMILESCC(C)=CCC(=O)O[Si]
InChIInChI=1S/C6H9O2Si/c1-5(2)3-4-6(7)8-9/h3H,4H2,1-2H3
InChIKeyRNMVDZTXEQZCBT-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.97
Rot. Bonds2

About CID 87586544

CID 87586544 (PubChem CID 87586544) has the molecular formula C6H9O2Si and a molecular weight of 141.22 g/mol.

Molecular Properties

Compound NameCID 87586544
PubChem CID87586544
Molecular FormulaC6H9O2Si
Molecular Weight141.22 g/mol
Exact Mass141.04
IUPAC Name—
SMILESCC(C)=CCC(=O)O[Si]
InChIInChI=1S/C6H9O2Si/c1-5(2)3-4-6(7)8-9/h3H,4H2,1-2H3
InChIKeyRNMVDZTXEQZCBT-UHFFFAOYSA-N
XLogP0.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl 4-methylpent-3-enoate
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methyl 6-methyl-3-oxohept-5-enoate
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5-methyl-2-oxohex-4-enoyl chloride
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methyl 4-methoxypent-3-enoate
CID 131857194
methyl (2Z)-2-(1-methoxyethylidene)-5-methylhex-4-enoate
CID 10954531
methyl 5-methylhex-4-enoate
CID 10909672
3-methylbut-2-enyl acetate
CID 87304509
(5E)-2,5-dimethylhepta-2,5-diene
CID 12688397
3-methylbut-2-enyl 3-oxobutanoate
CID 4173429
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] butanedioate
CID 57495010
[(2E)-3,7-dimethylocta-2,6-dienyl] but-3-enoate
CID 139889116

Frequently Asked Questions

What is the IUPAC name of CID 87586544?
The IUPAC name of CID 87586544 (CID 87586544) is not available.
What is the SMILES notation for CID 87586544?
The canonical SMILES for CID 87586544 is CC(C)=CCC(=O)O[Si].
What is the InChIKey of CID 87586544?
The InChIKey is RNMVDZTXEQZCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2Si/c1-5(2)3-4-6(7)8-9/h3H,4H2,1-2H3.
What are the key properties of CID 87586544?
CID 87586544 has a molecular weight of 141.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87586544 is sourced from PubChem (CID 87586544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).