(4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene

C20H30O2 — CID 642925

IUPAC(4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene
SMILESCC1=C2CC[C@@]3(C)O[C@@H]3CC/C(C)=C/CC/C(C)=C/[C@H]2OC1
InChIInChI=1S/C20H30O2/c1-14-6-5-7-15(2)12-18-17(16(3)13-21-18)10-11-20(4)19(22-20)9-8-14/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19-,20-/m1/s1
InChIKeyHACHOOOQCLDTSB-HKTJMPSSSA-N
MW302.46 g/mol
LogP5.11
Rot. Bonds

About (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene

(4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene (PubChem CID 642925) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene.

Molecular Properties

Compound Name(4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene
PubChem CID642925
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene
SMILESCC1=C2CC[C@@]3(C)O[C@@H]3CC/C(C)=C/CC/C(C)=C/[C@H]2OC1
InChIInChI=1S/C20H30O2/c1-14-6-5-7-15(2)12-18-17(16(3)13-21-18)10-11-20(4)19(22-20)9-8-14/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19-,20-/m1/s1
InChIKeyHACHOOOQCLDTSB-HKTJMPSSSA-N
XLogP5.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene?
The IUPAC name of (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene (CID 642925) is (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene.
What is the SMILES notation for (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene?
The canonical SMILES for (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene is CC1=C2CC[C@@]3(C)O[C@@H]3CC/C(C)=C/CC/C(C)=C/[C@H]2OC1.
What is the InChIKey of (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene?
The InChIKey is HACHOOOQCLDTSB-HKTJMPSSSA-N. The full InChI is InChI=1S/C20H30O2/c1-14-6-5-7-15(2)12-18-17(16(3)13-21-18)10-11-20(4)19(22-20)9-8-14/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19-,20-/m1/s1.
What are the key properties of (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene?
(4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene has a molecular weight of 302.46 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,9E,13E,15R)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-triene is sourced from PubChem (CID 642925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).