7-[tert-butyl(dimethyl)silyl]oxyheptanal

C13H28O2Si — CID 10922800

IUPAC7-[tert-butyl(dimethyl)silyl]oxyheptanal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC=O
InChIInChI=1S/C13H28O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h11H,6-10,12H2,1-5H3
InChIKeyVVYMNRDPQIEHLM-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.16
Rot. Bonds8

About 7-[tert-butyl(dimethyl)silyl]oxyheptanal

7-[tert-butyl(dimethyl)silyl]oxyheptanal (PubChem CID 10922800) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyheptanal.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyheptanal
PubChem CID10922800
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyheptanal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC=O
InChIInChI=1S/C13H28O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h11H,6-10,12H2,1-5H3
InChIKeyVVYMNRDPQIEHLM-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyheptanal?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyheptanal (CID 10922800) is 7-[tert-butyl(dimethyl)silyl]oxyheptanal.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyheptanal?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyheptanal is CC(C)(C)[Si](C)(C)OCCCCCCC=O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyheptanal?
The InChIKey is VVYMNRDPQIEHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h11H,6-10,12H2,1-5H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyheptanal?
7-[tert-butyl(dimethyl)silyl]oxyheptanal has a molecular weight of 244.45 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyheptanal is sourced from PubChem (CID 10922800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).