CID 153373323

C22H35O9Si — CID 153373323

IUPAC—
SMILESCCCC(=O)OC[C@@H](OC(=O)CCC)[C@H]1OC[C@@]([Si])(OC(=O)CCC)[C@H]1OC(=O)CCC
InChIInChI=1S/C22H35O9Si/c1-5-9-16(23)27-13-15(29-17(24)10-6-2)20-21(30-18(25)11-7-3)22(32,14-28-20)31-19(26)12-8-4/h15,20-21H,5-14H2,1-4H3/t15-,20-,21+,22+/m1/s1
InChIKeyXBRXRWUEOMVBMH-JAPHVTHTSA-N
MW471.60 g/mol
LogP2.36
Rot. Bonds14

About CID 153373323

CID 153373323 (PubChem CID 153373323) has the molecular formula C22H35O9Si and a molecular weight of 471.60 g/mol.

Molecular Properties

Compound NameCID 153373323
PubChem CID153373323
Molecular FormulaC22H35O9Si
Molecular Weight471.60 g/mol
Exact Mass471.21
IUPAC Name—
SMILESCCCC(=O)OC[C@@H](OC(=O)CCC)[C@H]1OC[C@@]([Si])(OC(=O)CCC)[C@H]1OC(=O)CCC
InChIInChI=1S/C22H35O9Si/c1-5-9-16(23)27-13-15(29-17(24)10-6-2)20-21(30-18(25)11-7-3)22(32,14-28-20)31-19(26)12-8-4/h15,20-21H,5-14H2,1-4H3/t15-,20-,21+,22+/m1/s1
InChIKeyXBRXRWUEOMVBMH-JAPHVTHTSA-N
XLogP2.36
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-butanoyloxy-2-[(3R,4S)-3,4-di(butanoyloxy)oxolan-2-yl]ethyl] butanoate
CID 154935821
[(2S)-2-butanoyloxybutyl] butanoate
CID 129404084
[2-butanoyloxy-3-[2,3-di(butanoyloxy)propoxy]propyl] butanoate
CID 551549
[(2S)-2-octadecanoyloxy-2-[(2R)-3-octadecanoyloxy-4,5-dioxooxolan-2-yl]ethyl] octadecanoate
CID 54516652
ethyl 3,4-di(butanoyloxy)butanoate
CID 139957363
4-O-[1,3-di(butanoyloxy)propan-2-yl] 1-O-propyl butanedioate
CID 159327262
[(2R,3R,4R,5R)-2,3,4,5,6-penta(butanoyloxy)hexyl] butanoate
CID 87451251
2,3-di(octadecanoyloxy)propyl octadecanoate;oxirane
CID 174974014
oxetan-2-ylmethyl butanoate
CID 150335397
2-butanoyloxydodecyl butanoate
CID 165356501
(1-butanoyloxy-3-hydroxypropan-2-yl) pentanoate
CID 138258727
2-aminopropyl butanoate
CID 87536199

Frequently Asked Questions

What is the IUPAC name of CID 153373323?
The IUPAC name of CID 153373323 (CID 153373323) is not available.
What is the SMILES notation for CID 153373323?
The canonical SMILES for CID 153373323 is CCCC(=O)OC[C@@H](OC(=O)CCC)[C@H]1OC[C@@]([Si])(OC(=O)CCC)[C@H]1OC(=O)CCC.
What is the InChIKey of CID 153373323?
The InChIKey is XBRXRWUEOMVBMH-JAPHVTHTSA-N. The full InChI is InChI=1S/C22H35O9Si/c1-5-9-16(23)27-13-15(29-17(24)10-6-2)20-21(30-18(25)11-7-3)22(32,14-28-20)31-19(26)12-8-4/h15,20-21H,5-14H2,1-4H3/t15-,20-,21+,22+/m1/s1.
What are the key properties of CID 153373323?
CID 153373323 has a molecular weight of 471.60 g/mol, XLogP of 2.36, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153373323 is sourced from PubChem (CID 153373323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).