(1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene

C16H20O — CID 98416423

IUPAC(1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene
SMILESC[C@]12CC[C@@H]3c4ccccc4CC[C@]3(CO1)C2
InChIInChI=1S/C16H20O/c1-15-8-7-14-13-5-3-2-4-12(13)6-9-16(14,10-15)11-17-15/h2-5,14H,6-11H2,1H3/t14-,15-,16-/m1/s1
InChIKeyADMBBYIIHVULRI-BZUAXINKSA-N
MW228.34 g/mol
LogP3.68
Rot. Bonds

About (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene

(1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene (PubChem CID 98416423) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene.

Molecular Properties

Compound Name(1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene
PubChem CID98416423
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene
SMILESC[C@]12CC[C@@H]3c4ccccc4CC[C@]3(CO1)C2
InChIInChI=1S/C16H20O/c1-15-8-7-14-13-5-3-2-4-12(13)6-9-16(14,10-15)11-17-15/h2-5,14H,6-11H2,1H3/t14-,15-,16-/m1/s1
InChIKeyADMBBYIIHVULRI-BZUAXINKSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene with MolForge

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Related Compounds

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2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
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Frequently Asked Questions

What is the IUPAC name of (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene?
The IUPAC name of (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene (CID 98416423) is (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene.
What is the SMILES notation for (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene?
The canonical SMILES for (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene is C[C@]12CC[C@@H]3c4ccccc4CC[C@]3(CO1)C2.
What is the InChIKey of (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene?
The InChIKey is ADMBBYIIHVULRI-BZUAXINKSA-N. The full InChI is InChI=1S/C16H20O/c1-15-8-7-14-13-5-3-2-4-12(13)6-9-16(14,10-15)11-17-15/h2-5,14H,6-11H2,1H3/t14-,15-,16-/m1/s1.
What are the key properties of (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene?
(1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene has a molecular weight of 228.34 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R,13R)-13-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4,6,8-triene is sourced from PubChem (CID 98416423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).