6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal

C12H26O2Si — CID 88955208

IUPAC6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal
SMILESCC(C)(C=O)CCCC(C)(C)[Si](C)(C)O
InChIInChI=1S/C12H26O2Si/c1-11(2,10-13)8-7-9-12(3,4)15(5,6)14/h10,14H,7-9H2,1-6H3
InChIKeyPEEUNTZSAKFPAC-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.36
Rot. Bonds6

About 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal

6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal (PubChem CID 88955208) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal.

Molecular Properties

Compound Name6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal
PubChem CID88955208
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal
SMILESCC(C)(C=O)CCCC(C)(C)[Si](C)(C)O
InChIInChI=1S/C12H26O2Si/c1-11(2,10-13)8-7-9-12(3,4)15(5,6)14/h10,14H,7-9H2,1-6H3
InChIKeyPEEUNTZSAKFPAC-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal?
The IUPAC name of 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal (CID 88955208) is 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal.
What is the SMILES notation for 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal?
The canonical SMILES for 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal is CC(C)(C=O)CCCC(C)(C)[Si](C)(C)O.
What is the InChIKey of 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal?
The InChIKey is PEEUNTZSAKFPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-11(2,10-13)8-7-9-12(3,4)15(5,6)14/h10,14H,7-9H2,1-6H3.
What are the key properties of 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal?
6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal has a molecular weight of 230.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(dimethyl)silyl]-2,2,6-trimethylheptanal is sourced from PubChem (CID 88955208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).