CID 86748919

C18H33O2Si — CID 86748919

IUPAC—
SMILESC[Si](C)OC1CC(C=O)CCC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C18H33O2Si/c1-17(2,3)15-7-10-18(11-8-15)9-6-14(13-19)12-16(18)20-21(4)5/h13-16H,6-12H2,1-5H3
InChIKeyBYJXXGIMZQWUKW-UHFFFAOYSA-N
MW309.55 g/mol
LogP4.84
Rot. Bonds3

About CID 86748919

CID 86748919 (PubChem CID 86748919) has the molecular formula C18H33O2Si and a molecular weight of 309.55 g/mol.

Molecular Properties

Compound NameCID 86748919
PubChem CID86748919
Molecular FormulaC18H33O2Si
Molecular Weight309.55 g/mol
Exact Mass309.22
IUPAC Name—
SMILESC[Si](C)OC1CC(C=O)CCC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C18H33O2Si/c1-17(2,3)15-7-10-18(11-8-15)9-6-14(13-19)12-16(18)20-21(4)5/h13-16H,6-12H2,1-5H3
InChIKeyBYJXXGIMZQWUKW-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 86748919?
The IUPAC name of CID 86748919 (CID 86748919) is not available.
What is the SMILES notation for CID 86748919?
The canonical SMILES for CID 86748919 is C[Si](C)OC1CC(C=O)CCC12CCC(C(C)(C)C)CC2.
What is the InChIKey of CID 86748919?
The InChIKey is BYJXXGIMZQWUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O2Si/c1-17(2,3)15-7-10-18(11-8-15)9-6-14(13-19)12-16(18)20-21(4)5/h13-16H,6-12H2,1-5H3.
What are the key properties of CID 86748919?
CID 86748919 has a molecular weight of 309.55 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86748919 is sourced from PubChem (CID 86748919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).