CID 141080532

C14H20NO2Si — CID 141080532

IUPAC—
SMILESCCCCc1c(OC)ccc(C#N)c1O[Si](C)C
InChIInChI=1S/C14H20NO2Si/c1-5-6-7-12-13(16-2)9-8-11(10-15)14(12)17-18(3)4/h8-9H,5-7H2,1-4H3
InChIKeyKILDTPIECBPTBP-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds6

About CID 141080532

CID 141080532 (PubChem CID 141080532) has the molecular formula C14H20NO2Si and a molecular weight of 262.40 g/mol.

Molecular Properties

Compound NameCID 141080532
PubChem CID141080532
Molecular FormulaC14H20NO2Si
Molecular Weight262.40 g/mol
Exact Mass262.13
IUPAC Name—
SMILESCCCCc1c(OC)ccc(C#N)c1O[Si](C)C
InChIInChI=1S/C14H20NO2Si/c1-5-6-7-12-13(16-2)9-8-11(10-15)14(12)17-18(3)4/h8-9H,5-7H2,1-4H3
InChIKeyKILDTPIECBPTBP-UHFFFAOYSA-N
XLogP3.54
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.54
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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ethyl 2-(3-cyano-2,6-dimethoxyphenyl)acetate
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5,8-dimethoxynaphthalene-2,3-dicarbonitrile
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2-ethyl-3-methoxybenzonitrile
CID 91882343
2-(cyanomethyl)-3-ethoxy-4-methoxybenzonitrile
CID 141262187
3-(aminomethyl)-2-fluoro-4-methoxybenzonitrile
CID 154659665
3-(bromomethyl)-2-hydroxy-4-methoxybenzonitrile
CID 176569759
2-methoxy-4-(octoxymethyl)benzonitrile
CID 106788564
2-methoxy-5-[2-(propylamino)ethyl]benzonitrile
CID 65340802
ethyl 2-[3-cyano-2-(difluoromethyl)-6-methoxyphenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of CID 141080532?
The IUPAC name of CID 141080532 (CID 141080532) is not available.
What is the SMILES notation for CID 141080532?
The canonical SMILES for CID 141080532 is CCCCc1c(OC)ccc(C#N)c1O[Si](C)C.
What is the InChIKey of CID 141080532?
The InChIKey is KILDTPIECBPTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO2Si/c1-5-6-7-12-13(16-2)9-8-11(10-15)14(12)17-18(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of CID 141080532?
CID 141080532 has a molecular weight of 262.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141080532 is sourced from PubChem (CID 141080532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).