(4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane

C15H26O2 — CID 135040186

IUPAC(4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane
SMILESC/C=C(C)/C=C(\C)C1OC(C)(C)O[C@H](C)[C@@H]1C
InChIInChI=1S/C15H26O2/c1-8-10(2)9-11(3)14-12(4)13(5)16-15(6,7)17-14/h8-9,12-14H,1-7H3/b10-8+,11-9+/t12-,13+,14?/m0/s1
InChIKeyOYDABBASZYVBIE-ZHZUEYCNSA-N
MW238.37 g/mol
LogP4.07
Rot. Bonds2

About (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane

(4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane (PubChem CID 135040186) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name(4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane
PubChem CID135040186
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane
SMILESC/C=C(C)/C=C(\C)C1OC(C)(C)O[C@H](C)[C@@H]1C
InChIInChI=1S/C15H26O2/c1-8-10(2)9-11(3)14-12(4)13(5)16-15(6,7)17-14/h8-9,12-14H,1-7H3/b10-8+,11-9+/t12-,13+,14?/m0/s1
InChIKeyOYDABBASZYVBIE-ZHZUEYCNSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane?
The IUPAC name of (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane (CID 135040186) is (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane.
What is the SMILES notation for (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane?
The canonical SMILES for (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane is C/C=C(C)/C=C(\C)C1OC(C)(C)O[C@H](C)[C@@H]1C.
What is the InChIKey of (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane?
The InChIKey is OYDABBASZYVBIE-ZHZUEYCNSA-N. The full InChI is InChI=1S/C15H26O2/c1-8-10(2)9-11(3)14-12(4)13(5)16-15(6,7)17-14/h8-9,12-14H,1-7H3/b10-8+,11-9+/t12-,13+,14?/m0/s1.
What are the key properties of (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane?
(4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane has a molecular weight of 238.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane is sourced from PubChem (CID 135040186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).