(1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

C16H14O2 — CID 11118112

IUPAC(1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESC[C@]12C[C@H](Oc3ccccc31)c1ccccc1O2
InChIInChI=1S/C16H14O2/c1-16-10-15(11-6-2-4-8-13(11)18-16)17-14-9-5-3-7-12(14)16/h2-9,15H,10H2,1H3/t15-,16-/m0/s1
InChIKeySTNCPZLMPFHILD-HOTGVXAUSA-N
MW238.29 g/mol
LogP3.82
Rot. Bonds

About (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

(1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (PubChem CID 11118112) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name(1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
PubChem CID11118112
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESC[C@]12C[C@H](Oc3ccccc31)c1ccccc1O2
InChIInChI=1S/C16H14O2/c1-16-10-15(11-6-2-4-8-13(11)18-16)17-14-9-5-3-7-12(14)16/h2-9,15H,10H2,1H3/t15-,16-/m0/s1
InChIKeySTNCPZLMPFHILD-HOTGVXAUSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The IUPAC name of (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (CID 11118112) is (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.
What is the SMILES notation for (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The canonical SMILES for (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is C[C@]12C[C@H](Oc3ccccc31)c1ccccc1O2.
What is the InChIKey of (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The InChIKey is STNCPZLMPFHILD-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H14O2/c1-16-10-15(11-6-2-4-8-13(11)18-16)17-14-9-5-3-7-12(14)16/h2-9,15H,10H2,1H3/t15-,16-/m0/s1.
What are the key properties of (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
(1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene has a molecular weight of 238.29 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S)-1-methyl-8,16-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is sourced from PubChem (CID 11118112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).