CID 155629503

C18H33O4Si — CID 155629503

IUPAC—
SMILESCCCCOC1(CCCCCCCC[Si](C)C)CC(=O)OC1=O
InChIInChI=1S/C18H33O4Si/c1-4-5-13-21-18(15-16(19)22-17(18)20)12-10-8-6-7-9-11-14-23(2)3/h4-15H2,1-3H3
InChIKeyYPHFLMMBFFRSRS-UHFFFAOYSA-N
MW341.54 g/mol
LogP4.50
Rot. Bonds13

About CID 155629503

CID 155629503 (PubChem CID 155629503) has the molecular formula C18H33O4Si and a molecular weight of 341.54 g/mol.

Molecular Properties

Compound NameCID 155629503
PubChem CID155629503
Molecular FormulaC18H33O4Si
Molecular Weight341.54 g/mol
Exact Mass341.21
IUPAC Name—
SMILESCCCCOC1(CCCCCCCC[Si](C)C)CC(=O)OC1=O
InChIInChI=1S/C18H33O4Si/c1-4-5-13-21-18(15-16(19)22-17(18)20)12-10-8-6-7-9-11-14-23(2)3/h4-15H2,1-3H3
InChIKeyYPHFLMMBFFRSRS-UHFFFAOYSA-N
XLogP4.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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3-hexadecyl-3-hydroxy-1,6-dioxecane-2,5,7,10-tetrone
CID 139778449
3,3-bis(9-butoxynonyl)cyclobutan-1-one
CID 129293635
3-decyl-3-(4,4,4-trimethoxybutyl)oxolane-2,5-dione
CID 158086597
3-methyl-3-propyloxolane-2,5-dione
CID 43134896
3,3-bis(dodec-1-enyl)oxolane-2,5-dione
CID 142724191
4,4-di(henicosyl)-5-sulfanylideneoxolan-2-one
CID 139774515
2-decoxy-2-tridecyl-1,3-dioxan-5-one
CID 68854407
1-hexadecyl-2,2,6-trihydroxy-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141144955
(3R)-3-methyl-3-pentadecyloxiran-2-one
CID 140973350
3-hydroxy-3-[(E)-oct-1-enyl]-1,6-dioxecane-2,5,7,10-tetrone
CID 139778450

Frequently Asked Questions

What is the IUPAC name of CID 155629503?
The IUPAC name of CID 155629503 (CID 155629503) is not available.
What is the SMILES notation for CID 155629503?
The canonical SMILES for CID 155629503 is CCCCOC1(CCCCCCCC[Si](C)C)CC(=O)OC1=O.
What is the InChIKey of CID 155629503?
The InChIKey is YPHFLMMBFFRSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O4Si/c1-4-5-13-21-18(15-16(19)22-17(18)20)12-10-8-6-7-9-11-14-23(2)3/h4-15H2,1-3H3.
What are the key properties of CID 155629503?
CID 155629503 has a molecular weight of 341.54 g/mol, XLogP of 4.50, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155629503 is sourced from PubChem (CID 155629503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).