methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate

C20H36O4Si — CID 10893938

IUPACmethyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate
SMILESC=C(CC/C=C(\C)CCC1OC(C)(C)OC1C(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C20H36O4Si/c1-15(10-9-11-16(2)14-25(6,7)8)12-13-17-18(19(21)22-5)24-20(3,4)23-17/h10,17-18H,2,9,11-14H2,1,3-8H3/b15-10+
InChIKeyFTFOXYKXHFZMMS-XNTDXEJSSA-N
MW368.59 g/mol
LogP5.08
Rot. Bonds9

About methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate

methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate (PubChem CID 10893938) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate
PubChem CID10893938
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Namemethyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate
SMILESC=C(CC/C=C(\C)CCC1OC(C)(C)OC1C(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C20H36O4Si/c1-15(10-9-11-16(2)14-25(6,7)8)12-13-17-18(19(21)22-5)24-20(3,4)23-17/h10,17-18H,2,9,11-14H2,1,3-8H3/b15-10+
InChIKeyFTFOXYKXHFZMMS-XNTDXEJSSA-N
XLogP5.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate with MolForge

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Related Compounds

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 139802520
1-[(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-1-one
CID 11611003
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
CID 71816825
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-[(E,11S)-11-hydroxydodec-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
CID 71816859
methyl (4R,5S)-2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate
CID 101933739

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate (CID 10893938) is methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate is C=C(CC/C=C(\C)CCC1OC(C)(C)OC1C(=O)OC)C[Si](C)(C)C.
What is the InChIKey of methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate?
The InChIKey is FTFOXYKXHFZMMS-XNTDXEJSSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-15(10-9-11-16(2)14-25(6,7)8)12-13-17-18(19(21)22-5)24-20(3,4)23-17/h10,17-18H,2,9,11-14H2,1,3-8H3/b15-10+.
What are the key properties of methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate?
methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate has a molecular weight of 368.59 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 10893938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).