CID 59804570

C14H25NO7Si — CID 59804570

IUPAC—
SMILESCO[Si]CCCNC(=O)OC(COCC1CO1)COCC1CO1
InChIInChI=1S/C14H25NO7Si/c1-17-23-4-2-3-15-14(16)22-13(7-18-5-11-9-20-11)8-19-6-12-10-21-12/h11-13H,2-10H2,1H3,(H,15,16)
InChIKeyHLINVQOUBJWITK-UHFFFAOYSA-N
MW347.44 g/mol
LogP-0.01
Rot. Bonds14

About CID 59804570

CID 59804570 (PubChem CID 59804570) has the molecular formula C14H25NO7Si and a molecular weight of 347.44 g/mol.

Molecular Properties

Compound NameCID 59804570
PubChem CID59804570
Molecular FormulaC14H25NO7Si
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name—
SMILESCO[Si]CCCNC(=O)OC(COCC1CO1)COCC1CO1
InChIInChI=1S/C14H25NO7Si/c1-17-23-4-2-3-15-14(16)22-13(7-18-5-11-9-20-11)8-19-6-12-10-21-12/h11-13H,2-10H2,1H3,(H,15,16)
InChIKeyHLINVQOUBJWITK-UHFFFAOYSA-N
XLogP-0.01
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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oxiran-2-ylmethyl N-decylcarbamate
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propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate
CID 91172551
[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate
CID 59499826
1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate
CID 138707568
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
[1-[8-[[2,7-bis(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]-7-[2-(butylcarbamoyloxy)-3-prop-2-enoxypropoxy]naphthalen-2-yl]oxy-3-prop-2-enoxypropan-2-yl] N-butylcarbamate
CID 118345094
[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl] prop-2-enoate
CID 88624989
1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea
CID 89261056
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933
(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279

Frequently Asked Questions

What is the IUPAC name of CID 59804570?
The IUPAC name of CID 59804570 (CID 59804570) is not available.
What is the SMILES notation for CID 59804570?
The canonical SMILES for CID 59804570 is CO[Si]CCCNC(=O)OC(COCC1CO1)COCC1CO1.
What is the InChIKey of CID 59804570?
The InChIKey is HLINVQOUBJWITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO7Si/c1-17-23-4-2-3-15-14(16)22-13(7-18-5-11-9-20-11)8-19-6-12-10-21-12/h11-13H,2-10H2,1H3,(H,15,16).
What are the key properties of CID 59804570?
CID 59804570 has a molecular weight of 347.44 g/mol, XLogP of -0.01, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59804570 is sourced from PubChem (CID 59804570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).