tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate

C31H50O11Si — CID 10746534

IUPACtetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate
SMILESC=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(CCCCC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C31H50O11Si/c1-12-31(42-43(10,11)28(2,3)4)21-30(31,27(36)41-9)20-16-15-19-29(25(34)39-7,26(35)40-8)18-14-13-17-22(23(32)37-5)24(33)38-6/h12,15-16,22H,1,13-14,17-21H2,2-11H3/b16-15+
InChIKeyYLCVOVUKLNEZRK-FOCLMDBBSA-N
MW626.82 g/mol
LogP4.69
Rot. Bonds17

About tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate

tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate (PubChem CID 10746534) has the molecular formula C31H50O11Si and a molecular weight of 626.82 g/mol. Its IUPAC name is tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate
PubChem CID10746534
Molecular FormulaC31H50O11Si
Molecular Weight626.82 g/mol
Exact Mass626.31
IUPAC Nametetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate
SMILESC=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(CCCCC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C31H50O11Si/c1-12-31(42-43(10,11)28(2,3)4)21-30(31,27(36)41-9)20-16-15-19-29(25(34)39-7,26(35)40-8)18-14-13-17-22(23(32)37-5)24(33)38-6/h12,15-16,22H,1,13-14,17-21H2,2-11H3/b16-15+
InChIKeyYLCVOVUKLNEZRK-FOCLMDBBSA-N
XLogP4.69
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate?
The IUPAC name of tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate (CID 10746534) is tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate.
What is the SMILES notation for tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate?
The canonical SMILES for tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate is C=CC1(O[Si](C)(C)C(C)(C)C)CC1(C/C=C/CC(CCCCC(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC.
What is the InChIKey of tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate?
The InChIKey is YLCVOVUKLNEZRK-FOCLMDBBSA-N. The full InChI is InChI=1S/C31H50O11Si/c1-12-31(42-43(10,11)28(2,3)4)21-30(31,27(36)41-9)20-16-15-19-29(25(34)39-7,26(35)40-8)18-14-13-17-22(23(32)37-5)24(33)38-6/h12,15-16,22H,1,13-14,17-21H2,2-11H3/b16-15+.
What are the key properties of tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate?
tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate has a molecular weight of 626.82 g/mol, XLogP of 4.69, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]dec-8-ene-1,1,6,6-tetracarboxylate is sourced from PubChem (CID 10746534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).