CID 68585306

C18H21O5Si — CID 68585306

IUPAC—
SMILESCOc1ccc(CC(O[Si])c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C18H21O5Si/c1-19-13-6-5-12(16(10-13)21-3)9-18(23-24)15-8-7-14(20-2)11-17(15)22-4/h5-8,10-11,18H,9H2,1-4H3
InChIKeyHCBCKVWAHGBDEV-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.10
Rot. Bonds8

About CID 68585306

CID 68585306 (PubChem CID 68585306) has the molecular formula C18H21O5Si and a molecular weight of 345.45 g/mol.

Molecular Properties

Compound NameCID 68585306
PubChem CID68585306
Molecular FormulaC18H21O5Si
Molecular Weight345.45 g/mol
Exact Mass345.12
IUPAC Name—
SMILESCOc1ccc(CC(O[Si])c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C18H21O5Si/c1-19-13-6-5-12(16(10-13)21-3)9-18(23-24)15-8-7-14(20-2)11-17(15)22-4/h5-8,10-11,18H,9H2,1-4H3
InChIKeyHCBCKVWAHGBDEV-UHFFFAOYSA-N
XLogP3.10
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-(2,4-dimethoxyphenyl)ethanethiol
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amino-(2,4-dimethoxyphenyl)methanol
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CID 64665840
2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal
CID 174815839
CID 175393014
CID 175393014
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
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2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of CID 68585306?
The IUPAC name of CID 68585306 (CID 68585306) is not available.
What is the SMILES notation for CID 68585306?
The canonical SMILES for CID 68585306 is COc1ccc(CC(O[Si])c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of CID 68585306?
The InChIKey is HCBCKVWAHGBDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O5Si/c1-19-13-6-5-12(16(10-13)21-3)9-18(23-24)15-8-7-14(20-2)11-17(15)22-4/h5-8,10-11,18H,9H2,1-4H3.
What are the key properties of CID 68585306?
CID 68585306 has a molecular weight of 345.45 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68585306 is sourced from PubChem (CID 68585306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).