CID 66650531

C27H46N3O5Si — CID 66650531

IUPAC—
SMILESC=CCCCCN(C)C(=O)[C@@]1(O[Si](C)C)C[C@H](C(C)(C)C)CN1C(=O)N[C@]1(C(=O)OCC)C[C@@H]1C=C
InChIInChI=1S/C27H46N3O5Si/c1-10-13-14-15-16-29(7)22(31)27(35-36(8)9)18-21(25(4,5)6)19-30(27)24(33)28-26(17-20(26)11-2)23(32)34-12-3/h10-11,20-21H,1-2,12-19H2,3-9H3,(H,28,33)/t20-,21-,26+,27-/m0/s1
InChIKeyDKBMWVMSIVAPGE-XMODGQSNSA-N
MW520.77 g/mol
LogP4.35
Rot. Bonds12

About CID 66650531

CID 66650531 (PubChem CID 66650531) has the molecular formula C27H46N3O5Si and a molecular weight of 520.77 g/mol.

Molecular Properties

Compound NameCID 66650531
PubChem CID66650531
Molecular FormulaC27H46N3O5Si
Molecular Weight520.77 g/mol
Exact Mass520.32
IUPAC Name—
SMILESC=CCCCCN(C)C(=O)[C@@]1(O[Si](C)C)C[C@H](C(C)(C)C)CN1C(=O)N[C@]1(C(=O)OCC)C[C@@H]1C=C
InChIInChI=1S/C27H46N3O5Si/c1-10-13-14-15-16-29(7)22(31)27(35-36(8)9)18-21(25(4,5)6)19-30(27)24(33)28-26(17-20(26)11-2)23(32)34-12-3/h10-11,20-21H,1-2,12-19H2,3-9H3,(H,28,33)/t20-,21-,26+,27-/m0/s1
InChIKeyDKBMWVMSIVAPGE-XMODGQSNSA-N
XLogP4.35
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 66650531 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 66650531?
The IUPAC name of CID 66650531 (CID 66650531) is not available.
What is the SMILES notation for CID 66650531?
The canonical SMILES for CID 66650531 is C=CCCCCN(C)C(=O)[C@@]1(O[Si](C)C)C[C@H](C(C)(C)C)CN1C(=O)N[C@]1(C(=O)OCC)C[C@@H]1C=C.
What is the InChIKey of CID 66650531?
The InChIKey is DKBMWVMSIVAPGE-XMODGQSNSA-N. The full InChI is InChI=1S/C27H46N3O5Si/c1-10-13-14-15-16-29(7)22(31)27(35-36(8)9)18-21(25(4,5)6)19-30(27)24(33)28-26(17-20(26)11-2)23(32)34-12-3/h10-11,20-21H,1-2,12-19H2,3-9H3,(H,28,33)/t20-,21-,26+,27-/m0/s1.
What are the key properties of CID 66650531?
CID 66650531 has a molecular weight of 520.77 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66650531 is sourced from PubChem (CID 66650531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).