(1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one

C14H20O2 — CID 134987174

IUPAC(1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESCCC[C@@H]1CC[C@]23O[C@H](C=CC2=O)C[C@@]13C
InChIInChI=1S/C14H20O2/c1-3-4-10-7-8-14-12(15)6-5-11(16-14)9-13(10,14)2/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11-,13+,14+/m1/s1
InChIKeyJVIIDTNWDVJJIS-RFHZTLPTSA-N
MW220.31 g/mol
LogP2.87
Rot. Bonds2

About (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one

(1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one (PubChem CID 134987174) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one.

Molecular Properties

Compound Name(1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
PubChem CID134987174
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESCCC[C@@H]1CC[C@]23O[C@H](C=CC2=O)C[C@@]13C
InChIInChI=1S/C14H20O2/c1-3-4-10-7-8-14-12(15)6-5-11(16-14)9-13(10,14)2/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11-,13+,14+/m1/s1
InChIKeyJVIIDTNWDVJJIS-RFHZTLPTSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
The IUPAC name of (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one (CID 134987174) is (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one.
What is the SMILES notation for (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
The canonical SMILES for (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one is CCC[C@@H]1CC[C@]23O[C@H](C=CC2=O)C[C@@]13C.
What is the InChIKey of (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
The InChIKey is JVIIDTNWDVJJIS-RFHZTLPTSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-4-10-7-8-14-12(15)6-5-11(16-14)9-13(10,14)2/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11-,13+,14+/m1/s1.
What are the key properties of (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
(1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one has a molecular weight of 220.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one is sourced from PubChem (CID 134987174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).