CID 134890037

C16H33O2Si — CID 134890037

IUPAC—
SMILESCC(C)C(=O)[C@@H](C)[C@H](O[Si](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H33O2Si/c1-10(2)15(17)14(9)16(11(3)4)18-19(12(5)6)13(7)8/h10-14,16H,1-9H3/t14-,16-/m1/s1
InChIKeyMMVXMHNMWHJBPE-GDBMZVCRSA-N
MW285.52 g/mol
LogP4.70
Rot. Bonds8

About CID 134890037

CID 134890037 (PubChem CID 134890037) has the molecular formula C16H33O2Si and a molecular weight of 285.52 g/mol.

Molecular Properties

Compound NameCID 134890037
PubChem CID134890037
Molecular FormulaC16H33O2Si
Molecular Weight285.52 g/mol
Exact Mass285.22
IUPAC Name—
SMILESCC(C)C(=O)[C@@H](C)[C@H](O[Si](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H33O2Si/c1-10(2)15(17)14(9)16(11(3)4)18-19(12(5)6)13(7)8/h10-14,16H,1-9H3/t14-,16-/m1/s1
InChIKeyMMVXMHNMWHJBPE-GDBMZVCRSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134890037?
The IUPAC name of CID 134890037 (CID 134890037) is not available.
What is the SMILES notation for CID 134890037?
The canonical SMILES for CID 134890037 is CC(C)C(=O)[C@@H](C)[C@H](O[Si](C(C)C)C(C)C)C(C)C.
What is the InChIKey of CID 134890037?
The InChIKey is MMVXMHNMWHJBPE-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H33O2Si/c1-10(2)15(17)14(9)16(11(3)4)18-19(12(5)6)13(7)8/h10-14,16H,1-9H3/t14-,16-/m1/s1.
What are the key properties of CID 134890037?
CID 134890037 has a molecular weight of 285.52 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134890037 is sourced from PubChem (CID 134890037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).