6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid

C16H36O4Si3 — CID 175123808

IUPAC6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid
SMILESCC[SiH](CC)O[SiH](O[SiH](CC)CC)C(C)CCC=C(C)C(=O)O
InChIInChI=1S/C16H36O4Si3/c1-7-21(8-2)19-23(20-22(9-3)10-4)15(6)13-11-12-14(5)16(17)18/h12,15,21-23H,7-11,13H2,1-6H3,(H,17,18)
InChIKeyPMTNKNCRZSYWPR-UHFFFAOYSA-N
MW376.72 g/mol
LogP3.97
Rot. Bonds13

About 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid

6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid (PubChem CID 175123808) has the molecular formula C16H36O4Si3 and a molecular weight of 376.72 g/mol. Its IUPAC name is 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid.

Molecular Properties

Compound Name6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid
PubChem CID175123808
Molecular FormulaC16H36O4Si3
Molecular Weight376.72 g/mol
Exact Mass376.19
IUPAC Name6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid
SMILESCC[SiH](CC)O[SiH](O[SiH](CC)CC)C(C)CCC=C(C)C(=O)O
InChIInChI=1S/C16H36O4Si3/c1-7-21(8-2)19-23(20-22(9-3)10-4)15(6)13-11-12-14(5)16(17)18/h12,15,21-23H,7-11,13H2,1-6H3,(H,17,18)
InChIKeyPMTNKNCRZSYWPR-UHFFFAOYSA-N
XLogP3.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-6-methoxy-2-methylhept-2-enoic acid
CID 22026595
6-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 54081309
5-(2-chloropropanoyloxy)-2-methylpent-2-enoic acid
CID 173221396
2-methyl-6-(2-methylprop-2-enoyloxy)hept-2-enoic acid
CID 174542655
5-butan-2-yloxy-2-methylpent-2-enoic acid
CID 57236242
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
8-hydroxy-2-methylnon-2-enoic acid
CID 57087697
2-methyl-6-propyldec-2-enoic acid
CID 123148332
2,8-dimethylhexadec-2-enoic acid
CID 90737317
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
(E)-6-ethoxy-2-methylhex-2-enoic acid
CID 87120210
6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid
CID 173373377

Frequently Asked Questions

What is the IUPAC name of 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid?
The IUPAC name of 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid (CID 175123808) is 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid.
What is the SMILES notation for 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid?
The canonical SMILES for 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid is CC[SiH](CC)O[SiH](O[SiH](CC)CC)C(C)CCC=C(C)C(=O)O.
What is the InChIKey of 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid?
The InChIKey is PMTNKNCRZSYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O4Si3/c1-7-21(8-2)19-23(20-22(9-3)10-4)15(6)13-11-12-14(5)16(17)18/h12,15,21-23H,7-11,13H2,1-6H3,(H,17,18).
What are the key properties of 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid?
6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid has a molecular weight of 376.72 g/mol, XLogP of 3.97, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bis(diethylsilyloxy)silyl-2-methylhept-2-enoic acid is sourced from PubChem (CID 175123808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).