(1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene

C21H34O3 — CID 10711803

IUPAC(1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene
SMILESCOC(C)(C)/C1=C/[C@H]2O[C@]2(C)CC/C=C(\C)CC[C@H]2O[C@]2(C)CC1
InChIInChI=1S/C21H34O3/c1-15-8-7-12-20(4)18(24-20)14-16(19(2,3)22-6)11-13-21(5)17(23-21)10-9-15/h8,14,17-18H,7,9-13H2,1-6H3/b15-8+,16-14+/t17-,18-,20-,21-/m1/s1
InChIKeyMHCZPWKKJRTQEQ-MNDZULKHSA-N
MW334.50 g/mol
LogP4.95
Rot. Bonds2

About (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene

(1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene (PubChem CID 10711803) has the molecular formula C21H34O3 and a molecular weight of 334.50 g/mol. Its IUPAC name is (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene.

Molecular Properties

Compound Name(1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene
PubChem CID10711803
Molecular FormulaC21H34O3
Molecular Weight334.50 g/mol
Exact Mass334.25
IUPAC Name(1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene
SMILESCOC(C)(C)/C1=C/[C@H]2O[C@]2(C)CC/C=C(\C)CC[C@H]2O[C@]2(C)CC1
InChIInChI=1S/C21H34O3/c1-15-8-7-12-20(4)18(24-20)14-16(19(2,3)22-6)11-13-21(5)17(23-21)10-9-15/h8,14,17-18H,7,9-13H2,1-6H3/b15-8+,16-14+/t17-,18-,20-,21-/m1/s1
InChIKeyMHCZPWKKJRTQEQ-MNDZULKHSA-N
XLogP4.95
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene?
The IUPAC name of (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene (CID 10711803) is (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene.
What is the SMILES notation for (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene?
The canonical SMILES for (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene is COC(C)(C)/C1=C/[C@H]2O[C@]2(C)CC/C=C(\C)CC[C@H]2O[C@]2(C)CC1.
What is the InChIKey of (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene?
The InChIKey is MHCZPWKKJRTQEQ-MNDZULKHSA-N. The full InChI is InChI=1S/C21H34O3/c1-15-8-7-12-20(4)18(24-20)14-16(19(2,3)22-6)11-13-21(5)17(23-21)10-9-15/h8,14,17-18H,7,9-13H2,1-6H3/b15-8+,16-14+/t17-,18-,20-,21-/m1/s1.
What are the key properties of (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene?
(1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene has a molecular weight of 334.50 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,6R,8R,11E,15R)-3-(2-methoxypropan-2-yl)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-diene is sourced from PubChem (CID 10711803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).