1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate

C18H34O5Si — CID 11428323

IUPAC1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate
SMILESCOC[C@](CCC(C)=C(C)C)(C(=O)OC)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H34O5Si/c1-14(2)15(3)9-10-18(13-21-4,16(19)22-5)17(20)23-11-12-24(6,7)8/h9-13H2,1-8H3/t18-/m1/s1
InChIKeyWZFWYVMIGNTTQN-GOSISDBHSA-N
MW358.55 g/mol
LogP3.81
Rot. Bonds10

About 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate

1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate (PubChem CID 11428323) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate.

Molecular Properties

Compound Name1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate
PubChem CID11428323
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate
SMILESCOC[C@](CCC(C)=C(C)C)(C(=O)OC)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H34O5Si/c1-14(2)15(3)9-10-18(13-21-4,16(19)22-5)17(20)23-11-12-24(6,7)8/h9-13H2,1-8H3/t18-/m1/s1
InChIKeyWZFWYVMIGNTTQN-GOSISDBHSA-N
XLogP3.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate
CID 11416203
Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
Dimethyl 2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate
CID 101369815
Dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate
CID 102262881
1,2-Disilylmethyl-4,4-dicarbethoxycyclopent-1-ene
CID 129777828
2-trimethylsilylethyl (2S)-2-carbonofluoridoyl-2-(methoxymethyl)-5,6-dimethylhept-5-enoate
CID 11348567
dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate
CID 14021593
Dimethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate
CID 57130810
Diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate
CID 10338826
diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate
CID 11198669
diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate
CID 11243947
dimethyl (4Z)-3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 11256314

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate?
The IUPAC name of 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate (CID 11428323) is 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate.
What is the SMILES notation for 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate?
The canonical SMILES for 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate is COC[C@](CCC(C)=C(C)C)(C(=O)OC)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate?
The InChIKey is WZFWYVMIGNTTQN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-14(2)15(3)9-10-18(13-21-4,16(19)22-5)17(20)23-11-12-24(6,7)8/h9-13H2,1-8H3/t18-/m1/s1.
What are the key properties of 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate?
1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate has a molecular weight of 358.55 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate is sourced from PubChem (CID 11428323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).