2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate

C17H28O7 — CID 138967137

IUPAC2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
SMILESCC(C)(C)COC(=O)C1OC2OC(C)(C)OC2C2OC(C)(C)OC12
InChIInChI=1S/C17H28O7/c1-15(2,3)8-19-13(18)11-9-10(22-16(4,5)21-9)12-14(20-11)24-17(6,7)23-12/h9-12,14H,8H2,1-7H3
InChIKeyBBYYSRFCDXKAAL-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.97
Rot. Bonds2

About 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate

2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate (PubChem CID 138967137) has the molecular formula C17H28O7 and a molecular weight of 344.40 g/mol. Its IUPAC name is 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
PubChem CID138967137
Molecular FormulaC17H28O7
Molecular Weight344.40 g/mol
Exact Mass344.18
IUPAC Name2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
SMILESCC(C)(C)COC(=O)C1OC2OC(C)(C)OC2C2OC(C)(C)OC12
InChIInChI=1S/C17H28O7/c1-15(2,3)8-19-13(18)11-9-10(22-16(4,5)21-9)12-14(20-11)24-17(6,7)23-12/h9-12,14H,8H2,1-7H3
InChIKeyBBYYSRFCDXKAAL-UHFFFAOYSA-N
XLogP1.97
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate with MolForge

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Related Compounds

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Dispiro[cyclohexane-1,4'-[3,5,7,10,12]pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-11',1''-cyclohexane]-8'-carboxylic acid
CID 2882326
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alpha-D-Galactopyranosiduronic acid, methyl methyl ester, triacetate
CID 142031
alpha-D-Glucopyranuronic acid, methyl ester, tetraacetate
CID 226478
Methyl 2,3,4-tri-O-acetyl-B-D-glucuronic acid methyl ester
CID 11057163
beta-D-Glucopyranuronic acid, ethyl ester, tetraacetate
CID 90475825
methyl (2S,3S,4S,5R,6S)-3,4,5-trimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane-2-carboxylate
CID 162888423
4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxylic acid
CID 540811
1,2:3,4-Di-O-isopropylidene-a-D-galacturonide
CID 1789081

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate (CID 138967137) is 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate is CC(C)(C)COC(=O)C1OC2OC(C)(C)OC2C2OC(C)(C)OC12.
What is the InChIKey of 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate?
The InChIKey is BBYYSRFCDXKAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O7/c1-15(2,3)8-19-13(18)11-9-10(22-16(4,5)21-9)12-14(20-11)24-17(6,7)23-12/h9-12,14H,8H2,1-7H3.
What are the key properties of 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate?
2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate has a molecular weight of 344.40 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate is sourced from PubChem (CID 138967137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).