(1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol

C20H30O3 — CID 11844357

IUPAC(1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol
SMILESCC1=C2CC/C(C)=C/C[C@H](O)[C@]3(C)O[C@H]3CC/C(C)=C/[C@H]2OC1
InChIInChI=1S/C20H30O3/c1-13-5-8-16-15(3)12-22-17(16)11-14(2)7-10-19-20(4,23-19)18(21)9-6-13/h6,11,17-19,21H,5,7-10,12H2,1-4H3/b13-6+,14-11+/t17-,18+,19+,20+/m1/s1
InChIKeyYCFWYGHHOGCWPB-LQROGWRGSA-N
MW318.46 g/mol
LogP4.08
Rot. Bonds

About (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol

(1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol (PubChem CID 11844357) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol.

Molecular Properties

Compound Name(1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol
PubChem CID11844357
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol
SMILESCC1=C2CC/C(C)=C/C[C@H](O)[C@]3(C)O[C@H]3CC/C(C)=C/[C@H]2OC1
InChIInChI=1S/C20H30O3/c1-13-5-8-16-15(3)12-22-17(16)11-14(2)7-10-19-20(4,23-19)18(21)9-6-13/h6,11,17-19,21H,5,7-10,12H2,1-4H3/b13-6+,14-11+/t17-,18+,19+,20+/m1/s1
InChIKeyYCFWYGHHOGCWPB-LQROGWRGSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
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,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol?
The IUPAC name of (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol (CID 11844357) is (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol.
What is the SMILES notation for (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol?
The canonical SMILES for (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol is CC1=C2CC/C(C)=C/C[C@H](O)[C@]3(C)O[C@H]3CC/C(C)=C/[C@H]2OC1.
What is the InChIKey of (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol?
The InChIKey is YCFWYGHHOGCWPB-LQROGWRGSA-N. The full InChI is InChI=1S/C20H30O3/c1-13-5-8-16-15(3)12-22-17(16)11-14(2)7-10-19-20(4,23-19)18(21)9-6-13/h6,11,17-19,21H,5,7-10,12H2,1-4H3/b13-6+,14-11+/t17-,18+,19+,20+/m1/s1.
What are the key properties of (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol?
(1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol has a molecular weight of 318.46 g/mol, XLogP of 4.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol is sourced from PubChem (CID 11844357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).