CID 11069258

C19H31OSiZr- — CID 11069258

IUPAC—
SMILESCO.[CH2-][C@H]1C[Si](C)(C)C[C@@H]1C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr]
InChIInChI=1S/C8H17Si.2C5H5.CH4O.Zr/c1-7-5-9(3,4)6-8(7)2;2*1-2-4-5-3-1;1-2;/h7-8H,1,5-6H2,2-4H3;2*1-5H;2H,1H3;/q-1;;;;/t7-,8-;;;;/m0..../s1
InChIKeyFLCUSBDVEJKCHG-CFACWHMASA-N
MW394.77 g/mol
LogP4.44
Rot. Bonds

About CID 11069258

CID 11069258 (PubChem CID 11069258) has the molecular formula C19H31OSiZr- and a molecular weight of 394.77 g/mol.

Molecular Properties

Compound NameCID 11069258
PubChem CID11069258
Molecular FormulaC19H31OSiZr-
Molecular Weight394.77 g/mol
Exact Mass393.12
IUPAC Name—
SMILESCO.[CH2-][C@H]1C[Si](C)(C)C[C@@H]1C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr]
InChIInChI=1S/C8H17Si.2C5H5.CH4O.Zr/c1-7-5-9(3,4)6-8(7)2;2*1-2-4-5-3-1;1-2;/h7-8H,1,5-6H2,2-4H3;2*1-5H;2H,1H3;/q-1;;;;/t7-,8-;;;;/m0..../s1
InChIKeyFLCUSBDVEJKCHG-CFACWHMASA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,2,3,4,5,6-hexamethylcycloheptane
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1,1,5-trimethyl-2-methylidenesilinan-4-ol
CID 85294944
1,1-dimethyl-3,4-di(propan-2-yl)silolane
CID 58427049
CID 10958852
CID 10958852
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
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4,5-dimethylcyclohexane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of CID 11069258?
The IUPAC name of CID 11069258 (CID 11069258) is not available.
What is the SMILES notation for CID 11069258?
The canonical SMILES for CID 11069258 is CO.[CH2-][C@H]1C[Si](C)(C)C[C@@H]1C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr].
What is the InChIKey of CID 11069258?
The InChIKey is FLCUSBDVEJKCHG-CFACWHMASA-N. The full InChI is InChI=1S/C8H17Si.2C5H5.CH4O.Zr/c1-7-5-9(3,4)6-8(7)2;2*1-2-4-5-3-1;1-2;/h7-8H,1,5-6H2,2-4H3;2*1-5H;2H,1H3;/q-1;;;;/t7-,8-;;;;/m0..../s1.
What are the key properties of CID 11069258?
CID 11069258 has a molecular weight of 394.77 g/mol, XLogP of 4.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11069258 is sourced from PubChem (CID 11069258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).