CID 19050471

C36H55NO3Si — CID 19050471

IUPAC—
SMILESCCCCCC(C)CCCCCCC(C)[Si]C1Oc2ccc(-c3ccc(OCCCCCCC4CC4)nc3)cc2O1
InChIInChI=1S/C36H55NO3Si/c1-4-5-10-15-28(2)16-11-6-7-12-17-29(3)41-36-39-33-23-21-31(26-34(33)40-36)32-22-24-35(37-27-32)38-25-14-9-8-13-18-30-19-20-30/h21-24,26-30,36H,4-20,25H2,1-3H3
InChIKeyNARNKJXQNUCHQH-UHFFFAOYSA-N
MW577.93 g/mol
LogP10.61
Rot. Bonds22

About CID 19050471

CID 19050471 (PubChem CID 19050471) has the molecular formula C36H55NO3Si and a molecular weight of 577.93 g/mol.

Molecular Properties

Compound NameCID 19050471
PubChem CID19050471
Molecular FormulaC36H55NO3Si
Molecular Weight577.93 g/mol
Exact Mass577.40
IUPAC Name—
SMILESCCCCCC(C)CCCCCCC(C)[Si]C1Oc2ccc(-c3ccc(OCCCCCCC4CC4)nc3)cc2O1
InChIInChI=1S/C36H55NO3Si/c1-4-5-10-15-28(2)16-11-6-7-12-17-29(3)41-36-39-33-23-21-31(26-34(33)40-36)32-22-24-35(37-27-32)38-25-14-9-8-13-18-30-19-20-30/h21-24,26-30,36H,4-20,25H2,1-3H3
InChIKeyNARNKJXQNUCHQH-UHFFFAOYSA-N
XLogP10.61
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.93
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 19050334
CID 19050334
2-(6-cyclopropylhexoxy)-5-(2-heptyl-1,3-benzodioxol-5-yl)pyridine
CID 19050316
2-(9-cyclopropylnonyl)-5-(2-heptyl-1,3-benzodioxol-5-yl)pyridine
CID 19050328
9-methyltetradecan-2-yl-[5-[6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-3-pyridinyl]-1,3-benzodioxol-2-yl]silane
CID 137327379
CID 22412707
CID 22412707
5-[2-(9-cyclopropylnonyl)-1,3-benzodioxol-5-yl]-2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)pyridine
CID 19050274
CID 19050258
CID 19050258
2-(4-butoxybutoxy)-5-[2-[2-(9-cyclopropylnonyl)phenyl]-1,3-dioxol-4-yl]pyridine
CID 67802133
CID 22412629
CID 22412629
2-(4-octylcyclohexyl)-5-(4-pentoxyphenyl)pyridine
CID 19859736
5-[4-[4-(6-cyclopentylhexoxy)phenyl]phenyl]-2-heptylpyrimidine
CID 19083592
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139778571

Frequently Asked Questions

What is the IUPAC name of CID 19050471?
The IUPAC name of CID 19050471 (CID 19050471) is not available.
What is the SMILES notation for CID 19050471?
The canonical SMILES for CID 19050471 is CCCCCC(C)CCCCCCC(C)[Si]C1Oc2ccc(-c3ccc(OCCCCCCC4CC4)nc3)cc2O1.
What is the InChIKey of CID 19050471?
The InChIKey is NARNKJXQNUCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H55NO3Si/c1-4-5-10-15-28(2)16-11-6-7-12-17-29(3)41-36-39-33-23-21-31(26-34(33)40-36)32-22-24-35(37-27-32)38-25-14-9-8-13-18-30-19-20-30/h21-24,26-30,36H,4-20,25H2,1-3H3.
What are the key properties of CID 19050471?
CID 19050471 has a molecular weight of 577.93 g/mol, XLogP of 10.61, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19050471 is sourced from PubChem (CID 19050471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).