CID 137078433

C9H16O2Si — CID 137078433

IUPAC—
SMILESC=C(C)C(=O)OCCC[Si]CC
InChIInChI=1S/C9H16O2Si/c1-4-12-7-5-6-11-9(10)8(2)3/h2,4-7H2,1,3H3
InChIKeyQISPRCLWDPAEMA-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.06
Rot. Bonds6

About CID 137078433

CID 137078433 (PubChem CID 137078433) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol.

Molecular Properties

Compound NameCID 137078433
PubChem CID137078433
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name—
SMILESC=C(C)C(=O)OCCC[Si]CC
InChIInChI=1S/C9H16O2Si/c1-4-12-7-5-6-11-9(10)8(2)3/h2,4-7H2,1,3H3
InChIKeyQISPRCLWDPAEMA-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
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butyl 2-methylprop-2-enoate;methane
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3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
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butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
CID 178065232
CID 178065232
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
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octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189

Frequently Asked Questions

What is the IUPAC name of CID 137078433?
The IUPAC name of CID 137078433 (CID 137078433) is not available.
What is the SMILES notation for CID 137078433?
The canonical SMILES for CID 137078433 is C=C(C)C(=O)OCCC[Si]CC.
What is the InChIKey of CID 137078433?
The InChIKey is QISPRCLWDPAEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-4-12-7-5-6-11-9(10)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of CID 137078433?
CID 137078433 has a molecular weight of 184.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137078433 is sourced from PubChem (CID 137078433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).