dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate

C16H28O5Si — CID 11416203

IUPACdimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)21-10-8-9-12-11-16(12,13(17)19-4)14(18)20-5/h11H,8-10H2,1-7H3
InChIKeyKDTMMCFYUZXWGN-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.06
Rot. Bonds7

About dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate

dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate (PubChem CID 11416203) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate
PubChem CID11416203
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Namedimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)21-10-8-9-12-11-16(12,13(17)19-4)14(18)20-5/h11H,8-10H2,1-7H3
InChIKeyKDTMMCFYUZXWGN-UHFFFAOYSA-N
XLogP3.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.06
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

dimethyl (3aS,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11361835
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
tetraethyl (2E)-2-ethylidene-1-methylpentane-1,1,4,4-tetracarboxylate
CID 162413547
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
Methyl 2-[butyl(dimethyl)silyl]peroxycarbonyl-5-methyloct-5-enoate
CID 88652840
Dimethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-enyl]propanedioate;propanedioic acid
CID 173404761
dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10895358
dimethyl (3aR,6S)-8-methyl-6-[tri(propan-2-yl)silyloxymethyl]-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 10928473
diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate
CID 11243947
1-O-methyl 3-O-(2-trimethylsilylethyl) (2R)-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)propanedioate
CID 11428323

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate (CID 11416203) is dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C=C1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate?
The InChIKey is KDTMMCFYUZXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)21-10-8-9-12-11-16(12,13(17)19-4)14(18)20-5/h11H,8-10H2,1-7H3.
What are the key properties of dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate?
dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate has a molecular weight of 328.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 11416203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).