CID 86749751

C16H25OSi — CID 86749751

IUPAC—
SMILESC#CCC1=C(C)[C@@](O[Si](C)C)(C(C)(C)C)CC1=C
InChIInChI=1S/C16H25OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h1H,2,10-11H2,3-8H3/t16-/m1/s1
InChIKeyADSWHLFYAOBRDC-MRXNPFEDSA-N
MW261.46 g/mol
LogP4.34
Rot. Bonds3

About CID 86749751

CID 86749751 (PubChem CID 86749751) has the molecular formula C16H25OSi and a molecular weight of 261.46 g/mol.

Molecular Properties

Compound NameCID 86749751
PubChem CID86749751
Molecular FormulaC16H25OSi
Molecular Weight261.46 g/mol
Exact Mass261.17
IUPAC Name—
SMILESC#CCC1=C(C)[C@@](O[Si](C)C)(C(C)(C)C)CC1=C
InChIInChI=1S/C16H25OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h1H,2,10-11H2,3-8H3/t16-/m1/s1
InChIKeyADSWHLFYAOBRDC-MRXNPFEDSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 86749751?
The IUPAC name of CID 86749751 (CID 86749751) is not available.
What is the SMILES notation for CID 86749751?
The canonical SMILES for CID 86749751 is C#CCC1=C(C)[C@@](O[Si](C)C)(C(C)(C)C)CC1=C.
What is the InChIKey of CID 86749751?
The InChIKey is ADSWHLFYAOBRDC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h1H,2,10-11H2,3-8H3/t16-/m1/s1.
What are the key properties of CID 86749751?
CID 86749751 has a molecular weight of 261.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86749751 is sourced from PubChem (CID 86749751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).