CID 123811776

C11H21O5Si — CID 123811776

IUPAC—
SMILESCCC(=O)OC(CO)C(CC[SiH2])OC(=O)CC
InChIInChI=1S/C11H21O5Si/c1-3-10(13)15-8(5-6-17)9(7-12)16-11(14)4-2/h8-9,12H,3-7,17H2,1-2H3
InChIKeyHFPSHWYCTXTESU-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.06
Rot. Bonds8

About CID 123811776

CID 123811776 (PubChem CID 123811776) has the molecular formula C11H21O5Si and a molecular weight of 261.37 g/mol.

Molecular Properties

Compound NameCID 123811776
PubChem CID123811776
Molecular FormulaC11H21O5Si
Molecular Weight261.37 g/mol
Exact Mass261.12
IUPAC Name—
SMILESCCC(=O)OC(CO)C(CC[SiH2])OC(=O)CC
InChIInChI=1S/C11H21O5Si/c1-3-10(13)15-8(5-6-17)9(7-12)16-11(14)4-2/h8-9,12H,3-7,17H2,1-2H3
InChIKeyHFPSHWYCTXTESU-UHFFFAOYSA-N
XLogP0.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
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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[(2S,3S)-1-azido-4-hydroxy-3-propanoyloxybutan-2-yl] propanoate
CID 58083796
3-propanoyloxybutan-2-yl propanoate
CID 14494224
[(3S,4R)-4-methyl-5-oxoheptan-3-yl] propanoate
CID 11084857
propan-2-one;propan-2-yl propanoate
CID 161266557
[(2R)-5-methylhexan-2-yl] propanoate
CID 10877606
[(2R,3S,4S,5S)-1,2,5,6-tetrahydroxy-4-propanoyloxyhexan-3-yl] propanoate
CID 102116279
(4,4-dimethoxy-1-propanoyloxybutyl) propanoate
CID 121011755
[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate
CID 89488956
[(Z,2R,3R,4R)-1-hydroxy-3,4,5-tri(propanoyloxy)hept-5-en-2-yl] propanoate
CID 154935667
3-propanoyloxypentane-2-diazonium
CID 175484929

Frequently Asked Questions

What is the IUPAC name of CID 123811776?
The IUPAC name of CID 123811776 (CID 123811776) is not available.
What is the SMILES notation for CID 123811776?
The canonical SMILES for CID 123811776 is CCC(=O)OC(CO)C(CC[SiH2])OC(=O)CC.
What is the InChIKey of CID 123811776?
The InChIKey is HFPSHWYCTXTESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O5Si/c1-3-10(13)15-8(5-6-17)9(7-12)16-11(14)4-2/h8-9,12H,3-7,17H2,1-2H3.
What are the key properties of CID 123811776?
CID 123811776 has a molecular weight of 261.37 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123811776 is sourced from PubChem (CID 123811776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).