[(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate

C16H24O6 — CID 11012405

IUPAC[(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate
SMILESCC(=O)O[C@@H]1C/C=C\[C@@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H24O6/c1-9(17)18-10-7-6-8-11-13(21-15(2,3)19-11)14-12(10)20-16(4,5)22-14/h6,8,10-14H,7H2,1-5H3/b8-6-/t10-,11+,12-,13-,14-/m1/s1
InChIKeyHZPACJGPRKSFGZ-MSTQXEBZSA-N
MW312.36 g/mol
LogP1.92
Rot. Bonds1

About [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate

[(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate (PubChem CID 11012405) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate.

Molecular Properties

Compound Name[(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate
PubChem CID11012405
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name[(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate
SMILESCC(=O)O[C@@H]1C/C=C\[C@@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H24O6/c1-9(17)18-10-7-6-8-11-13(21-15(2,3)19-11)14-12(10)20-16(4,5)22-14/h6,8,10-14H,7H2,1-5H3/b8-6-/t10-,11+,12-,13-,14-/m1/s1
InChIKeyHZPACJGPRKSFGZ-MSTQXEBZSA-N
XLogP1.92
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate with MolForge

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Related Compounds

[(2E,3S,4S,5R)-4-acetyloxy-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]decan-3-yl] acetate
CID 21726159
(2Z)-2-(2,4-Hexadiynylidene)-3,4-diacetoxy-1,6-dioxaspiro(4,5)decane
CID 5806109
[(3aR,4R,6S,6aS)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl acetate
CID 56964933
(2S,5R)-2-[(E,1S)-1-(methoxymethoxy)but-2-enyl]-5-[(2R,5S)-5-[(E,1S)-1-(methoxymethoxy)but-2-enyl]oxolan-2-yl]oxolane
CID 10619170
(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,3-dihydropyran-6-one
CID 11288689
[(E)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxycarbonyloxyhept-2-en-4-yl] methyl carbonate
CID 13762314
[(2Z,3S,4S,5R)-4-acetyloxy-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]decan-3-yl] acetate
CID 15736703
[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl acetate
CID 134831053
[(3'aS,5R,6'R,7'R,7'aS)-7'-acetyloxy-4-ethenyl-2',2'-dimethylspiro[2H-furan-5,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-6'-yl]methyl acetate
CID 134840076
[(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate
CID 134840371
[(3S,6S)-6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3-acetyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134842956
[(9Z,13R)-1,7-dioxaspiro[5.7]tridec-9-en-13-yl] acetate
CID 134858598

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate?
The IUPAC name of [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate (CID 11012405) is [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate.
What is the SMILES notation for [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate?
The canonical SMILES for [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate is CC(=O)O[C@@H]1C/C=C\[C@@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate?
The InChIKey is HZPACJGPRKSFGZ-MSTQXEBZSA-N. The full InChI is InChI=1S/C16H24O6/c1-9(17)18-10-7-6-8-11-13(21-15(2,3)19-11)14-12(10)20-16(4,5)22-14/h6,8,10-14H,7H2,1-5H3/b8-6-/t10-,11+,12-,13-,14-/m1/s1.
What are the key properties of [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate?
[(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate has a molecular weight of 312.36 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6R,7R,9Z,11S)-4,4,13,13-tetramethyl-3,5,12,14-tetraoxatricyclo[9.3.0.02,6]tetradec-9-en-7-yl] acetate is sourced from PubChem (CID 11012405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).