2-dimethylsilyloxyheptanal

C9H20O2Si — CID 173354417

IUPAC2-dimethylsilyloxyheptanal
SMILESCCCCCC(C=O)O[SiH](C)C
InChIInChI=1S/C9H20O2Si/c1-4-5-6-7-9(8-10)11-12(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyMWEUGPUFMXKIIT-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.13
Rot. Bonds7

About 2-dimethylsilyloxyheptanal

2-dimethylsilyloxyheptanal (PubChem CID 173354417) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-dimethylsilyloxyheptanal.

Molecular Properties

Compound Name2-dimethylsilyloxyheptanal
PubChem CID173354417
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-dimethylsilyloxyheptanal
SMILESCCCCCC(C=O)O[SiH](C)C
InChIInChI=1S/C9H20O2Si/c1-4-5-6-7-9(8-10)11-12(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyMWEUGPUFMXKIIT-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-oxononan-2-yl methanesulfonate
CID 87934201
2-(2-ethoxyethoxy)octanal
CID 22457210
1-oxopentadecan-2-yl octadecanoate
CID 173390746
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
2-(2-methylpropylamino)oxydecanal
CID 23150466
2-phenoxyundecanal
CID 57130450
2-undecylpropanedial
CID 20505732
2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
(2S)-2-fluorohexadecanal
CID 134857256
2-methyldodecanal
CID 87784106

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyloxyheptanal?
The IUPAC name of 2-dimethylsilyloxyheptanal (CID 173354417) is 2-dimethylsilyloxyheptanal.
What is the SMILES notation for 2-dimethylsilyloxyheptanal?
The canonical SMILES for 2-dimethylsilyloxyheptanal is CCCCCC(C=O)O[SiH](C)C.
What is the InChIKey of 2-dimethylsilyloxyheptanal?
The InChIKey is MWEUGPUFMXKIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-4-5-6-7-9(8-10)11-12(2)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-dimethylsilyloxyheptanal?
2-dimethylsilyloxyheptanal has a molecular weight of 188.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyloxyheptanal is sourced from PubChem (CID 173354417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).