CID 23533215

C74H121O15Si4 — CID 23533215

IUPAC—
SMILESCCC(C)C(=O)OC(C)(C)CCC(C)(C)OC(=O)C(CCC1C2CC(CC2CO[Si]2(C)C[Si](C)C[Si](C)C[Si](C)C2)C1C1C(=O)OC(=O)C1C1C2CC(CC2C(=O)OC(C)(C)C)C1C1C(C)C2CC1C(C(=O)OCC(CC)(CC)CO)C2C(=O)O)C1C2CCC(C2)C1C
InChIInChI=1S/C74H121O15Si4/c1-18-40(4)65(78)88-72(10,11)25-26-73(12,13)89-66(79)49(55-41(5)43-21-22-44(55)27-43)24-23-48-51-29-45(28-47(51)33-85-93(17)38-91(15)36-90(14)37-92(16)39-93)57(48)62-63(70(83)86-69(62)82)59-52-30-46(31-53(52)67(80)87-71(7,8)9)58(59)56-42(6)50-32-54(56)61(60(50)64(76)77)68(81)84-35-74(19-2,20-3)34-75/h40-63,75H,18-39H2,1-17H3,(H,76,77)
InChIKeyDLXLRABALJKVDW-UHFFFAOYSA-N
MW1363.11 g/mol
LogP13.67
Rot. Bonds26

About CID 23533215

CID 23533215 (PubChem CID 23533215) has the molecular formula C74H121O15Si4 and a molecular weight of 1363.11 g/mol.

Molecular Properties

Compound NameCID 23533215
PubChem CID23533215
Molecular FormulaC74H121O15Si4
Molecular Weight1363.11 g/mol
Exact Mass1361.78
IUPAC Name—
SMILESCCC(C)C(=O)OC(C)(C)CCC(C)(C)OC(=O)C(CCC1C2CC(CC2CO[Si]2(C)C[Si](C)C[Si](C)C[Si](C)C2)C1C1C(=O)OC(=O)C1C1C2CC(CC2C(=O)OC(C)(C)C)C1C1C(C)C2CC1C(C(=O)OCC(CC)(CC)CO)C2C(=O)O)C1C2CCC(C2)C1C
InChIInChI=1S/C74H121O15Si4/c1-18-40(4)65(78)88-72(10,11)25-26-73(12,13)89-66(79)49(55-41(5)43-21-22-44(55)27-43)24-23-48-51-29-45(28-47(51)33-85-93(17)38-91(15)36-90(14)37-92(16)39-93)57(48)62-63(70(83)86-69(62)82)59-52-30-46(31-53(52)67(80)87-71(7,8)9)58(59)56-42(6)50-32-54(56)61(60(50)64(76)77)68(81)84-35-74(19-2,20-3)34-75/h40-63,75H,18-39H2,1-17H3,(H,76,77)
InChIKeyDLXLRABALJKVDW-UHFFFAOYSA-N
XLogP13.67
TPSA215.33 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.11
LogP ≤ 513.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23533215?
The IUPAC name of CID 23533215 (CID 23533215) is not available.
What is the SMILES notation for CID 23533215?
The canonical SMILES for CID 23533215 is CCC(C)C(=O)OC(C)(C)CCC(C)(C)OC(=O)C(CCC1C2CC(CC2CO[Si]2(C)C[Si](C)C[Si](C)C[Si](C)C2)C1C1C(=O)OC(=O)C1C1C2CC(CC2C(=O)OC(C)(C)C)C1C1C(C)C2CC1C(C(=O)OCC(CC)(CC)CO)C2C(=O)O)C1C2CCC(C2)C1C.
What is the InChIKey of CID 23533215?
The InChIKey is DLXLRABALJKVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H121O15Si4/c1-18-40(4)65(78)88-72(10,11)25-26-73(12,13)89-66(79)49(55-41(5)43-21-22-44(55)27-43)24-23-48-51-29-45(28-47(51)33-85-93(17)38-91(15)36-90(14)37-92(16)39-93)57(48)62-63(70(83)86-69(62)82)59-52-30-46(31-53(52)67(80)87-71(7,8)9)58(59)56-42(6)50-32-54(56)61(60(50)64(76)77)68(81)84-35-74(19-2,20-3)34-75/h40-63,75H,18-39H2,1-17H3,(H,76,77).
What are the key properties of CID 23533215?
CID 23533215 has a molecular weight of 1363.11 g/mol, XLogP of 13.67, 26 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23533215 is sourced from PubChem (CID 23533215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).