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

C16H20O2 — CID 99736702

IUPAC(1R,9R,11R,12R,14S)-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-WABRKEKUSA-N
MW244.33 g/mol
LogP3.57
Rot. Bonds

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

(1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene (PubChem CID 99736702) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
PubChem CID99736702
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(1R,9R,11R,12R,14S)-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-WABRKEKUSA-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 (1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene with MolForge

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Launch Full Analysis

Related Compounds

(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
(1R,9S,11S,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
CID 6955111
(1R,9S,11S,12S,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
CID 928982
[(1R,9S,12S,14R)-9-methyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl]methanol
CID 929018
[(1S,9R,11S,12S,13S,14R)-9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl]methanol
CID 40543417
9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
CID 2828570
(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949988
3,3-di(propan-2-yl)-4,4a,5,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 154595139
(1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 11118112
[(1S,9R,11S,12S,13S,14S)-9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl]methyl acetate
CID 40543423
[(1S,9R,11S,12R,13S,14R)-9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl]methyl acetate
CID 40543419
[(1S,9S,11S,12S,13S,14S)-9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl]methyl propanoate
CID 11874098

Frequently Asked Questions

What is the IUPAC name of (1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The IUPAC name of (1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene (CID 99736702) is (1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene.
What is the SMILES notation for (1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The canonical SMILES for (1R,9R,11R,12R,14S)-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 (1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The InChIKey is VNZLCOOICNIDQE-WABRKEKUSA-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 (1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
(1R,9R,11R,12R,14S)-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 (1R,9R,11R,12R,14S)-9,11-dimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene is sourced from PubChem (CID 99736702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).