CID 153408261

C19H33O2Si — CID 153408261

IUPAC—
SMILESC=C(C)C(=O)O[Si](C1CCCCC1)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H33O2Si/c1-14(2)16-10-12-18(13-11-16)22(21-19(20)15(3)4)17-8-6-5-7-9-17/h14,16-18H,3,5-13H2,1-2,4H3
InChIKeyYVYAUVJCHNJIBH-UHFFFAOYSA-N
MW321.56 g/mol
LogP5.65
Rot. Bonds5

About CID 153408261

CID 153408261 (PubChem CID 153408261) has the molecular formula C19H33O2Si and a molecular weight of 321.56 g/mol.

Molecular Properties

Compound NameCID 153408261
PubChem CID153408261
Molecular FormulaC19H33O2Si
Molecular Weight321.56 g/mol
Exact Mass321.22
IUPAC Name—
SMILESC=C(C)C(=O)O[Si](C1CCCCC1)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H33O2Si/c1-14(2)16-10-12-18(13-11-16)22(21-19(20)15(3)4)17-8-6-5-7-9-17/h14,16-18H,3,5-13H2,1-2,4H3
InChIKeyYVYAUVJCHNJIBH-UHFFFAOYSA-N
XLogP5.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.56
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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cyclododecyl 2-methylprop-2-enoate;methane
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cyclohexyl 2-methylprop-2-enoate;methanol
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carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
[cyclohexyl(cyclohexyloxy)methyl] 2-methylprop-2-enoate
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cyclobutane;2-methylprop-2-eneperoxoic acid
CID 174582061
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
cyclohexyloxycarbonyl 2-methylprop-2-enoate
CID 156840126
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
1-cyclohexylsulfonylethyl 2-methylprop-2-enoate
CID 171762763
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 2-methylprop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of CID 153408261?
The IUPAC name of CID 153408261 (CID 153408261) is not available.
What is the SMILES notation for CID 153408261?
The canonical SMILES for CID 153408261 is C=C(C)C(=O)O[Si](C1CCCCC1)C1CCC(C(C)C)CC1.
What is the InChIKey of CID 153408261?
The InChIKey is YVYAUVJCHNJIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O2Si/c1-14(2)16-10-12-18(13-11-16)22(21-19(20)15(3)4)17-8-6-5-7-9-17/h14,16-18H,3,5-13H2,1-2,4H3.
What are the key properties of CID 153408261?
CID 153408261 has a molecular weight of 321.56 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153408261 is sourced from PubChem (CID 153408261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).