(1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene

C16H20O2 — CID 98120960

IUPAC(1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
SMILESC[C@@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@H]1C[C@H]32
InChIInChI=1S/C16H20O2/c1-10-8-16(2)13-7-11(10)9-17-15(13)12-5-3-4-6-14(12)18-16/h3-6,10-11,13,15H,7-9H2,1-2H3/t10-,11-,13-,15-,16-/m1/s1
InChIKeyVNZLCOOICNIDQE-DCXAKIHSSA-N
MW244.33 g/mol
LogP3.57
Rot. Bonds

About (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene

(1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene (PubChem CID 98120960) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene.

Molecular Properties

Compound Name(1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
PubChem CID98120960
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
SMILESC[C@@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@H]1C[C@H]32
InChIInChI=1S/C16H20O2/c1-10-8-16(2)13-7-11(10)9-17-15(13)12-5-3-4-6-14(12)18-16/h3-6,10-11,13,15H,7-9H2,1-2H3/t10-,11-,13-,15-,16-/m1/s1
InChIKeyVNZLCOOICNIDQE-DCXAKIHSSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The IUPAC name of (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene (CID 98120960) is (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene.
What is the SMILES notation for (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The canonical SMILES for (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene is C[C@@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@H]1C[C@H]32.
What is the InChIKey of (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The InChIKey is VNZLCOOICNIDQE-DCXAKIHSSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-8-16(2)13-7-11(10)9-17-15(13)12-5-3-4-6-14(12)18-16/h3-6,10-11,13,15H,7-9H2,1-2H3/t10-,11-,13-,15-,16-/m1/s1.
What are the key properties of (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
(1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene has a molecular weight of 244.33 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,11R,12S,14R)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene is sourced from PubChem (CID 98120960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).