CID 22981936

C14H23O4Si — CID 22981936

IUPAC—
SMILESC[Si](C)CCCOCC(O)COc1ccc(O)cc1
InChIInChI=1S/C14H23O4Si/c1-19(2)9-3-8-17-10-13(16)11-18-14-6-4-12(15)5-7-14/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyABUUYDSQHNHCHQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.29
Rot. Bonds9

About CID 22981936

CID 22981936 (PubChem CID 22981936) has the molecular formula C14H23O4Si and a molecular weight of 283.42 g/mol.

Molecular Properties

Compound NameCID 22981936
PubChem CID22981936
Molecular FormulaC14H23O4Si
Molecular Weight283.42 g/mol
Exact Mass283.14
IUPAC Name—
SMILESC[Si](C)CCCOCC(O)COc1ccc(O)cc1
InChIInChI=1S/C14H23O4Si/c1-19(2)9-3-8-17-10-13(16)11-18-14-6-4-12(15)5-7-14/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyABUUYDSQHNHCHQ-UHFFFAOYSA-N
XLogP2.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]butan-1-ol
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CID 59445639
3-[[4-[3-(5-fluoropentoxy)-2-hydroxypropoxy]phenoxy]methoxy]propane-1,2-diol
CID 176877657
3-(2-hydroxy-3-tetradecoxypropoxy)phenol
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1-butoxy-3-[4-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 107262271
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
butyl 4-hydroxybenzoate;butyl 4-(2-hydroxybutoxy)benzoate
CID 161417517
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
(2R)-1-(3-phenoxypropoxy)butan-2-ol
CID 158011713

Frequently Asked Questions

What is the IUPAC name of CID 22981936?
The IUPAC name of CID 22981936 (CID 22981936) is not available.
What is the SMILES notation for CID 22981936?
The canonical SMILES for CID 22981936 is C[Si](C)CCCOCC(O)COc1ccc(O)cc1.
What is the InChIKey of CID 22981936?
The InChIKey is ABUUYDSQHNHCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4Si/c1-19(2)9-3-8-17-10-13(16)11-18-14-6-4-12(15)5-7-14/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of CID 22981936?
CID 22981936 has a molecular weight of 283.42 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22981936 is sourced from PubChem (CID 22981936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).