(E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid

C11H22O3Si — CID 173134574

IUPAC(E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid
SMILESC[SiH](C)OC(C/C=C/C(C)(C)C)C(=O)O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)8-6-7-9(10(12)13)14-15(4)5/h6,8-9,15H,7H2,1-5H3,(H,12,13)/b8-6+
InChIKeyLUDVGWSLOUBGOR-SOFGYWHQSA-N
MW230.38 g/mol
LogP2.43
Rot. Bonds5

About (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid

(E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid (PubChem CID 173134574) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid.

Molecular Properties

Compound Name(E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid
PubChem CID173134574
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name(E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid
SMILESC[SiH](C)OC(C/C=C/C(C)(C)C)C(=O)O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)8-6-7-9(10(12)13)14-15(4)5/h6,8-9,15H,7H2,1-5H3,(H,12,13)/b8-6+
InChIKeyLUDVGWSLOUBGOR-SOFGYWHQSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoic acid
CID 22456912
2-[Tert-butyl(dimethyl)silyl]oxypent-3-enoic acid
CID 73886739
(R)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714802
(S)-2-((tert-butyldimethylsilyl)oxy)pent-4-enoic acid
CID 86714996
2-Trimethylsilyloxyhex-4-enoic acid
CID 123224261
2-Trimethylsilyloxypent-3-enoic acid
CID 123985347
2-[Tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 151661034
2-Dimethylsilyloxy-6,6-dimethylhept-4-enoic acid
CID 173134575
2-Methyl-2-trimethylsilyloxyhex-4-enoic acid
CID 173381351
(Z)-2-methyl-2-trimethylsilyloxyhex-4-enoic acid
CID 173582007
methyl (E,2R,3R)-7-[dimethyl(propan-2-yl)silyl]oxy-2-hydroxy-3-methylhept-4-enoate
CID 10356787
(E,2R,3R)-2-methoxy-3-trimethylsilylhex-4-enoic acid
CID 15049413

Frequently Asked Questions

What is the IUPAC name of (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid?
The IUPAC name of (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid (CID 173134574) is (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid.
What is the SMILES notation for (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid?
The canonical SMILES for (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid is C[SiH](C)OC(C/C=C/C(C)(C)C)C(=O)O.
What is the InChIKey of (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid?
The InChIKey is LUDVGWSLOUBGOR-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)8-6-7-9(10(12)13)14-15(4)5/h6,8-9,15H,7H2,1-5H3,(H,12,13)/b8-6+.
What are the key properties of (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid?
(E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid has a molecular weight of 230.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-dimethylsilyloxy-6,6-dimethylhept-4-enoic acid is sourced from PubChem (CID 173134574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).