CID 58391631

C8H17OSi — CID 58391631

IUPAC—
SMILESCC(=O)CCCC[Si](C)C
InChIInChI=1S/C8H17OSi/c1-8(9)6-4-5-7-10(2)3/h4-7H2,1-3H3
InChIKeyDAMPWBYANBOIFA-UHFFFAOYSA-N
MW157.31 g/mol
LogP2.50
Rot. Bonds5

About CID 58391631

CID 58391631 (PubChem CID 58391631) has the molecular formula C8H17OSi and a molecular weight of 157.31 g/mol.

Molecular Properties

Compound NameCID 58391631
PubChem CID58391631
Molecular FormulaC8H17OSi
Molecular Weight157.31 g/mol
Exact Mass157.10
IUPAC Name—
SMILESCC(=O)CCCC[Si](C)C
InChIInChI=1S/C8H17OSi/c1-8(9)6-4-5-7-10(2)3/h4-7H2,1-3H3
InChIKeyDAMPWBYANBOIFA-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

docosane-2,21-dione
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pentadecane-2,14-dione
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dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
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12-fluorododecan-2-one
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CID 43793499
7,7,7-trihydroxyheptan-2-one
CID 87744670
octadecakis(hexane);nonan-2-one
CID 173226284
1-hydroxyoctane-2,7-dione
CID 19604643
6-iodohexan-2-one
CID 11390494
nonan-2-one
CID 13187
decan-2-one
CID 12741
21-hydroxyhenicosan-2-one
CID 153324955

Frequently Asked Questions

What is the IUPAC name of CID 58391631?
The IUPAC name of CID 58391631 (CID 58391631) is not available.
What is the SMILES notation for CID 58391631?
The canonical SMILES for CID 58391631 is CC(=O)CCCC[Si](C)C.
What is the InChIKey of CID 58391631?
The InChIKey is DAMPWBYANBOIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OSi/c1-8(9)6-4-5-7-10(2)3/h4-7H2,1-3H3.
What are the key properties of CID 58391631?
CID 58391631 has a molecular weight of 157.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58391631 is sourced from PubChem (CID 58391631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).