(4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane

C15H22O4 — CID 11196392

IUPAC(4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=C/C(=C\[C@H]1OC(C)(C)O[C@@H]1/C=C(\C=C)OC)OC
InChIInChI=1S/C15H22O4/c1-7-11(16-5)9-13-14(10-12(8-2)17-6)19-15(3,4)18-13/h7-10,13-14H,1-2H2,3-6H3/b11-9+,12-10+/t13-,14-/m1/s1
InChIKeyDNWMCVRNOYPLPA-SCXCSFDHSA-N
MW266.34 g/mol
LogP2.94
Rot. Bonds6

About (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11196392) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11196392
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=C/C(=C\[C@H]1OC(C)(C)O[C@@H]1/C=C(\C=C)OC)OC
InChIInChI=1S/C15H22O4/c1-7-11(16-5)9-13-14(10-12(8-2)17-6)19-15(3,4)18-13/h7-10,13-14H,1-2H2,3-6H3/b11-9+,12-10+/t13-,14-/m1/s1
InChIKeyDNWMCVRNOYPLPA-SCXCSFDHSA-N
XLogP2.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane (CID 11196392) is (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane is C=C/C(=C\[C@H]1OC(C)(C)O[C@@H]1/C=C(\C=C)OC)OC.
What is the InChIKey of (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is DNWMCVRNOYPLPA-SCXCSFDHSA-N. The full InChI is InChI=1S/C15H22O4/c1-7-11(16-5)9-13-14(10-12(8-2)17-6)19-15(3,4)18-13/h7-10,13-14H,1-2H2,3-6H3/b11-9+,12-10+/t13-,14-/m1/s1.
What are the key properties of (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 266.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-bis[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11196392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).