(4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane

C19H30O3 — CID 142221511

IUPAC(4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane
SMILESCC1=CCOC(/C=C/CCC/C=C/C2O[C@H](C)C[C@@H](C)O2)C1
InChIInChI=1S/C19H30O3/c1-15-11-12-20-18(13-15)9-7-5-4-6-8-10-19-21-16(2)14-17(3)22-19/h7-11,16-19H,4-6,12-14H2,1-3H3/b9-7+,10-8+/t16-,17-,18?/m1/s1
InChIKeyXAUSCSPOOCODOS-ZBQJZKKXSA-N
MW306.45 g/mol
LogP4.54
Rot. Bonds6

About (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane

(4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane (PubChem CID 142221511) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane
PubChem CID142221511
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name(4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane
SMILESCC1=CCOC(/C=C/CCC/C=C/C2O[C@H](C)C[C@@H](C)O2)C1
InChIInChI=1S/C19H30O3/c1-15-11-12-20-18(13-15)9-7-5-4-6-8-10-19-21-16(2)14-17(3)22-19/h7-11,16-19H,4-6,12-14H2,1-3H3/b9-7+,10-8+/t16-,17-,18?/m1/s1
InChIKeyXAUSCSPOOCODOS-ZBQJZKKXSA-N
XLogP4.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane?
The IUPAC name of (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane (CID 142221511) is (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane.
What is the SMILES notation for (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane?
The canonical SMILES for (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane is CC1=CCOC(/C=C/CCC/C=C/C2O[C@H](C)C[C@@H](C)O2)C1.
What is the InChIKey of (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane?
The InChIKey is XAUSCSPOOCODOS-ZBQJZKKXSA-N. The full InChI is InChI=1S/C19H30O3/c1-15-11-12-20-18(13-15)9-7-5-4-6-8-10-19-21-16(2)14-17(3)22-19/h7-11,16-19H,4-6,12-14H2,1-3H3/b9-7+,10-8+/t16-,17-,18?/m1/s1.
What are the key properties of (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane?
(4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane has a molecular weight of 306.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-dimethyl-2-[(1E,6E)-7-(4-methyl-3,6-dihydro-2H-pyran-2-yl)hepta-1,6-dienyl]-1,3-dioxane is sourced from PubChem (CID 142221511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).