CID 86740101

C23H39O2Si — CID 86740101

IUPAC—
SMILESC[Si](C)OC(/C=C/C1CCC2C(=O)CCC12)(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C23H39O2Si/c1-22(2,3)23(25-26(4)5,18-9-7-6-8-10-18)16-15-17-11-12-20-19(17)13-14-21(20)24/h15-20H,6-14H2,1-5H3/b16-15+
InChIKeyPMEKKSGIDWNHSB-FOCLMDBBSA-N
MW375.65 g/mol
LogP6.18
Rot. Bonds5

About CID 86740101

CID 86740101 (PubChem CID 86740101) has the molecular formula C23H39O2Si and a molecular weight of 375.65 g/mol.

Molecular Properties

Compound NameCID 86740101
PubChem CID86740101
Molecular FormulaC23H39O2Si
Molecular Weight375.65 g/mol
Exact Mass375.27
IUPAC Name—
SMILESC[Si](C)OC(/C=C/C1CCC2C(=O)CCC12)(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C23H39O2Si/c1-22(2,3)23(25-26(4)5,18-9-7-6-8-10-18)16-15-17-11-12-20-19(17)13-14-21(20)24/h15-20H,6-14H2,1-5H3/b16-15+
InChIKeyPMEKKSGIDWNHSB-FOCLMDBBSA-N
XLogP6.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.65
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 86740101?
The IUPAC name of CID 86740101 (CID 86740101) is not available.
What is the SMILES notation for CID 86740101?
The canonical SMILES for CID 86740101 is C[Si](C)OC(/C=C/C1CCC2C(=O)CCC12)(C1CCCCC1)C(C)(C)C.
What is the InChIKey of CID 86740101?
The InChIKey is PMEKKSGIDWNHSB-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H39O2Si/c1-22(2,3)23(25-26(4)5,18-9-7-6-8-10-18)16-15-17-11-12-20-19(17)13-14-21(20)24/h15-20H,6-14H2,1-5H3/b16-15+.
What are the key properties of CID 86740101?
CID 86740101 has a molecular weight of 375.65 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86740101 is sourced from PubChem (CID 86740101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).