(1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one

C15H22O2 — CID 134840147

IUPAC(1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one
SMILESCC1(C)OC[C@H]2C(=O)C=C[C@@]3(C)CCC1[C@@H]2C3
InChIInChI=1S/C15H22O2/c1-14(2)12-4-6-15(3)7-5-13(16)11(9-17-14)10(12)8-15/h5,7,10-12H,4,6,8-9H2,1-3H3/t10-,11-,12?,15-/m1/s1
InChIKeyKWEPAKZPRXCOIJ-XOGJBXBPSA-N
MW234.34 g/mol
LogP2.97
Rot. Bonds

About (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one

(1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one (PubChem CID 134840147) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one.

Molecular Properties

Compound Name(1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one
PubChem CID134840147
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one
SMILESCC1(C)OC[C@H]2C(=O)C=C[C@@]3(C)CCC1[C@@H]2C3
InChIInChI=1S/C15H22O2/c1-14(2)12-4-6-15(3)7-5-13(16)11(9-17-14)10(12)8-15/h5,7,10-12H,4,6,8-9H2,1-3H3/t10-,11-,12?,15-/m1/s1
InChIKeyKWEPAKZPRXCOIJ-XOGJBXBPSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one with MolForge

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Related Compounds

Annuionone B
CID 24776721
(-)-Annuionone B
CID 101417753
1,5-Dimethyl-8-(3-oxobut-1-enyl)-6-oxabicyclo[3.2.1]octan-3-one
CID 162944691
(1S,8R)-8-hydroxy-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one
CID 134856813
(1S,8S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one
CID 134964172
(1S,8R,13S)-8-methoxy-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one
CID 11844449
6,6-Dimethyl-5-(oxan-4-ylmethyl)cyclohex-2-en-1-one
CID 141494111
(1R,4aS)-1-(methoxymethyl)-1-propyl-4a,5,6,7,8,8a-hexahydronaphthalen-2-one
CID 10879128
(1S,4aS)-1-(methoxymethyl)-1-propyl-4a,5,6,7,8,8a-hexahydronaphthalen-2-one
CID 11096613
(1S,4R,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one
CID 44185196
(1S,4R,8R,13S)-8-methoxy-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one
CID 101401092
(1S,4R,8R,13S)-8-hydroxy-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one
CID 101488072

Frequently Asked Questions

What is the IUPAC name of (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one?
The IUPAC name of (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one (CID 134840147) is (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one.
What is the SMILES notation for (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one?
The canonical SMILES for (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one is CC1(C)OC[C@H]2C(=O)C=C[C@@]3(C)CCC1[C@@H]2C3.
What is the InChIKey of (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one?
The InChIKey is KWEPAKZPRXCOIJ-XOGJBXBPSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2)12-4-6-15(3)7-5-13(16)11(9-17-14)10(12)8-15/h5,7,10-12H,4,6,8-9H2,1-3H3/t10-,11-,12?,15-/m1/s1.
What are the key properties of (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one?
(1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one has a molecular weight of 234.34 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,13S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]tridec-10-en-9-one is sourced from PubChem (CID 134840147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).