CID 68503930

C21H34ClNO3Si — CID 68503930

IUPAC—
SMILESCCN(Cc1ccc(Cl)c(C(C)(C)O[Si]C(C)(C)C)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H34ClNO3Si/c1-10-23(18(24)25-19(2,3)4)14-15-11-12-17(22)16(13-15)21(8,9)26-27-20(5,6)7/h11-13H,10,14H2,1-9H3
InChIKeyYBOGEUQUDOGZJC-UHFFFAOYSA-N
MW412.05 g/mol
LogP6.19
Rot. Bonds6

About CID 68503930

CID 68503930 (PubChem CID 68503930) has the molecular formula C21H34ClNO3Si and a molecular weight of 412.05 g/mol.

Molecular Properties

Compound NameCID 68503930
PubChem CID68503930
Molecular FormulaC21H34ClNO3Si
Molecular Weight412.05 g/mol
Exact Mass411.20
IUPAC Name—
SMILESCCN(Cc1ccc(Cl)c(C(C)(C)O[Si]C(C)(C)C)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H34ClNO3Si/c1-10-23(18(24)25-19(2,3)4)14-15-11-12-17(22)16(13-15)21(8,9)26-27-20(5,6)7/h11-13H,10,14H2,1-9H3
InChIKeyYBOGEUQUDOGZJC-UHFFFAOYSA-N
XLogP6.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.05
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-ethylcarbamate
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CID 67148534
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tert-butyl N-ethyl-N-[(3-iodo-4-methoxyphenyl)methyl]carbamate
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tert-butyl N-[[3-(2-tert-butylsilyloxypropan-2-yl)-4-chlorophenyl]methyl]-N-methylcarbamate
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CID 39422832
tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate
CID 87418131
tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
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tert-butyl N-[(4-chlorophenyl)methyl]-N-[2-(methylamino)ethyl]carbamate
CID 25209344

Frequently Asked Questions

What is the IUPAC name of CID 68503930?
The IUPAC name of CID 68503930 (CID 68503930) is not available.
What is the SMILES notation for CID 68503930?
The canonical SMILES for CID 68503930 is CCN(Cc1ccc(Cl)c(C(C)(C)O[Si]C(C)(C)C)c1)C(=O)OC(C)(C)C.
What is the InChIKey of CID 68503930?
The InChIKey is YBOGEUQUDOGZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34ClNO3Si/c1-10-23(18(24)25-19(2,3)4)14-15-11-12-17(22)16(13-15)21(8,9)26-27-20(5,6)7/h11-13H,10,14H2,1-9H3.
What are the key properties of CID 68503930?
CID 68503930 has a molecular weight of 412.05 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68503930 is sourced from PubChem (CID 68503930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).