CID 177302436

C45H100N4O12Si8 — CID 177302436

IUPAC—
SMILESCOC(N1CC(COCC(COCC2CN(C(OC)[Si](C)C)C[Si](C)(C)O2)(COCC2CN(C(OC)[Si](C)C)C[Si](C)(C)O2)COCC2CN(C(OC)[Si](C)C)C[Si](C)(C)O2)O[Si](C)(C)C1)[Si](C)C
InChIInChI=1S/C45H100N4O12Si8/c1-50-41(62(5)6)46-21-37(58-66(13,14)33-46)25-54-29-45(30-55-26-38-22-47(34-67(15,16)59-38)42(51-2)63(7)8,31-56-27-39-23-48(35-68(17,18)60-39)43(52-3)64(9)10)32-57-28-40-24-49(36-69(19,20)61-40)44(53-4)65(11)12/h37-44H,21-36H2,1-20H3
InChIKeyNRAJFQMWLYJTQI-UHFFFAOYSA-N
MW1114.00 g/mol
LogP4.88
Rot. Bonds28

About CID 177302436

CID 177302436 (PubChem CID 177302436) has the molecular formula C45H100N4O12Si8 and a molecular weight of 1114.00 g/mol.

Molecular Properties

Compound NameCID 177302436
PubChem CID177302436
Molecular FormulaC45H100N4O12Si8
Molecular Weight1114.00 g/mol
Exact Mass1112.55
IUPAC Name—
SMILESCOC(N1CC(COCC(COCC2CN(C(OC)[Si](C)C)C[Si](C)(C)O2)(COCC2CN(C(OC)[Si](C)C)C[Si](C)(C)O2)COCC2CN(C(OC)[Si](C)C)C[Si](C)(C)O2)O[Si](C)(C)C1)[Si](C)C
InChIInChI=1S/C45H100N4O12Si8/c1-50-41(62(5)6)46-21-37(58-66(13,14)33-46)25-54-29-45(30-55-26-38-22-47(34-67(15,16)59-38)42(51-2)63(7)8,31-56-27-39-23-48(35-68(17,18)60-39)43(52-3)64(9)10)32-57-28-40-24-49(36-69(19,20)61-40)44(53-4)65(11)12/h37-44H,21-36H2,1-20H3
InChIKeyNRAJFQMWLYJTQI-UHFFFAOYSA-N
XLogP4.88
TPSA123.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.00
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

CID 177302469
CID 177302469
[methoxy-[6-(methoxymethyl)-2,2-dimethyl-1,4,2-oxazasilinan-4-yl]methyl]-dimethylsilane
CID 151410719
CID 153300883
CID 153300883
2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]methyl]oxirane
CID 88898601
CID 177302475
CID 177302475
[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane
CID 163554978
3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
CID 64571645
2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane
CID 146626109
CID 153300896
CID 153300896
1-methoxy-3,7,10-tris(prop-2-enoxymethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
CID 20682611
2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22726121
1-[3-[2-hydroxy-3-[4-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]triazol-1-yl]propoxy]-2,2-bis[[2-hydroxy-3-[4-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]triazol-1-yl]propoxy]methyl]propoxy]-3-[4-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]triazol-1-yl]propan-2-ol
CID 58436343

Frequently Asked Questions

What is the IUPAC name of CID 177302436?
The IUPAC name of CID 177302436 (CID 177302436) is not available.
What is the SMILES notation for CID 177302436?
The canonical SMILES for CID 177302436 is COC(N1CC(COCC(COCC2CN(C(OC)[Si](C)C)C[Si](C)(C)O2)(COCC2CN(C(OC)[Si](C)C)C[Si](C)(C)O2)COCC2CN(C(OC)[Si](C)C)C[Si](C)(C)O2)O[Si](C)(C)C1)[Si](C)C.
What is the InChIKey of CID 177302436?
The InChIKey is NRAJFQMWLYJTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H100N4O12Si8/c1-50-41(62(5)6)46-21-37(58-66(13,14)33-46)25-54-29-45(30-55-26-38-22-47(34-67(15,16)59-38)42(51-2)63(7)8,31-56-27-39-23-48(35-68(17,18)60-39)43(52-3)64(9)10)32-57-28-40-24-49(36-69(19,20)61-40)44(53-4)65(11)12/h37-44H,21-36H2,1-20H3.
What are the key properties of CID 177302436?
CID 177302436 has a molecular weight of 1114.00 g/mol, XLogP of 4.88, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177302436 is sourced from PubChem (CID 177302436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).