CID 46868736

C22H38O2Si — CID 46868736

IUPAC—
SMILESCC(C)[Si](O/C=C1\C[C]=[C][C@H](O)[C@H]2CC(C)(C)C[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C22H38O2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18-10-9-11-21(23)20-13-22(7,8)12-19(18)20/h14-17,19-21,23H,10,12-13H2,1-8H3/b18-14+/t19-,20-,21-/m0/s1
InChIKeyOAHPMVSUIRXPPN-PNVRCKIDSA-N
MW362.63 g/mol
LogP6.04
Rot. Bonds5

About CID 46868736

CID 46868736 (PubChem CID 46868736) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol.

Molecular Properties

Compound NameCID 46868736
PubChem CID46868736
Molecular FormulaC22H38O2Si
Molecular Weight362.63 g/mol
Exact Mass362.26
IUPAC Name—
SMILESCC(C)[Si](O/C=C1\C[C]=[C][C@H](O)[C@H]2CC(C)(C)C[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C22H38O2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18-10-9-11-21(23)20-13-22(7,8)12-19(18)20/h14-17,19-21,23H,10,12-13H2,1-8H3/b18-14+/t19-,20-,21-/m0/s1
InChIKeyOAHPMVSUIRXPPN-PNVRCKIDSA-N
XLogP6.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 46868736?
The IUPAC name of CID 46868736 (CID 46868736) is not available.
What is the SMILES notation for CID 46868736?
The canonical SMILES for CID 46868736 is CC(C)[Si](O/C=C1\C[C]=[C][C@H](O)[C@H]2CC(C)(C)C[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of CID 46868736?
The InChIKey is OAHPMVSUIRXPPN-PNVRCKIDSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18-10-9-11-21(23)20-13-22(7,8)12-19(18)20/h14-17,19-21,23H,10,12-13H2,1-8H3/b18-14+/t19-,20-,21-/m0/s1.
What are the key properties of CID 46868736?
CID 46868736 has a molecular weight of 362.63 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46868736 is sourced from PubChem (CID 46868736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).