CID 22942593

C14H19O3Si — CID 22942593

IUPAC—
SMILESOc1cccc(OC2CCCC(CC[Si])C2O)c1
InChIInChI=1S/C14H19O3Si/c15-11-4-2-5-12(9-11)17-13-6-1-3-10(7-8-18)14(13)16/h2,4-5,9-10,13-16H,1,3,6-8H2
InChIKeySTECWVSVMOWQDE-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.28
Rot. Bonds4

About CID 22942593

CID 22942593 (PubChem CID 22942593) has the molecular formula C14H19O3Si and a molecular weight of 263.39 g/mol.

Molecular Properties

Compound NameCID 22942593
PubChem CID22942593
Molecular FormulaC14H19O3Si
Molecular Weight263.39 g/mol
Exact Mass263.11
IUPAC Name—
SMILESOc1cccc(OC2CCCC(CC[Si])C2O)c1
InChIInChI=1S/C14H19O3Si/c15-11-4-2-5-12(9-11)17-13-6-1-3-10(7-8-18)14(13)16/h2,4-5,9-10,13-16H,1,3,6-8H2
InChIKeySTECWVSVMOWQDE-UHFFFAOYSA-N
XLogP2.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
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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CID 71079964
5,5-Difluoro-4-(hydroxymethyl)-6-(4-hydroxyphenoxy)cyclohexane-1,2,3-triol
CID 78003529
5-heptan-2-yloxy-2-[(1S,3R)-3-hydroxycyclohexyl]phenol
CID 44282168
1,2-Propanediol, 3-(m-(benzyloxy)phenoxy)-
CID 3065783
(1R,2S,3R,4R,6R)-4-[3-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 44350032
Ophiocerol
CID 139586308
(1S,2S)-1-(3-hydroxy-5-methoxyphenyl)-2-[3-[(E)-3-hydroxyprop-1-enyl]-5-methoxyphenoxy]propane-1,3-diol
CID 163186473
Hexacycloxylariolone
CID 170989939
(1R,2R,3R,5R)-4,4-difluoro-3-(hydroxymethyl)-5-(4-hydroxyphenoxy)cyclohexane-1,2-diol
CID 71079952
(1R,2S,3R,4R,6R)-5,5-difluoro-4-(hydroxymethyl)-6-(4-hydroxyphenoxy)cyclohexane-1,2,3-triol
CID 71079961
cis-(2R,5R)-4,4-difluoro-3-(hydroxymethyl)-5-(4-hydroxyphenoxy)cyclohexane-1,2-diol
CID 144479319
1-(3,5-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
CID 102579598

Frequently Asked Questions

What is the IUPAC name of CID 22942593?
The IUPAC name of CID 22942593 (CID 22942593) is not available.
What is the SMILES notation for CID 22942593?
The canonical SMILES for CID 22942593 is Oc1cccc(OC2CCCC(CC[Si])C2O)c1.
What is the InChIKey of CID 22942593?
The InChIKey is STECWVSVMOWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O3Si/c15-11-4-2-5-12(9-11)17-13-6-1-3-10(7-8-18)14(13)16/h2,4-5,9-10,13-16H,1,3,6-8H2.
What are the key properties of CID 22942593?
CID 22942593 has a molecular weight of 263.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22942593 is sourced from PubChem (CID 22942593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).