dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate

C18H34O5Si — CID 14021593

IUPACdimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate
SMILESCOC(=O)C(CC/C(C)=C\CCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C18H34O5Si/c1-14(10-9-13-23-24(7,8)18(2,3)4)11-12-15(16(19)21-5)17(20)22-6/h10,15H,9,11-13H2,1-8H3/b14-10-
InChIKeyGUCWZWLOXACEHB-UVTDQMKNSA-N
MW358.55 g/mol
LogP4.09
Rot. Bonds9

About dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate

dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate (PubChem CID 14021593) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate
PubChem CID14021593
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Namedimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate
SMILESCOC(=O)C(CC/C(C)=C\CCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C18H34O5Si/c1-14(10-9-13-23-24(7,8)18(2,3)4)11-12-15(16(19)21-5)17(20)22-6/h10,15H,9,11-13H2,1-8H3/b14-10-
InChIKeyGUCWZWLOXACEHB-UVTDQMKNSA-N
XLogP4.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
dimethyl (3aS,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11361835
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate
CID 11416203
diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate
CID 102307777
(4Z)-3-[4-tri(propan-2-yl)silyloxybutyl]-4-[5-tri(propan-2-yl)silyloxypentylidene]oxetan-2-one
CID 134874193
diethyl 2-[(4Z)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate
CID 176427799
Diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate
CID 102055419
Dimethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate
CID 57130810
Methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate
CID 88652840
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 139623985
Dimethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate;propanedioic acid
CID 173404761
dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate
CID 10544438

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate (CID 14021593) is dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate is COC(=O)C(CC/C(C)=C\CCO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate?
The InChIKey is GUCWZWLOXACEHB-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-14(10-9-13-23-24(7,8)18(2,3)4)11-12-15(16(19)21-5)17(20)22-6/h10,15H,9,11-13H2,1-8H3/b14-10-.
What are the key properties of dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate?
dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate has a molecular weight of 358.55 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate is sourced from PubChem (CID 14021593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).