(1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one

C16H22O2 — CID 66557308

IUPAC(1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one
SMILESC[C@]12CCCCCC3=CC(=O)C=C[C@@]31OCCC2
InChIInChI=1S/C16H22O2/c1-15-8-4-2-3-6-13-12-14(17)7-10-16(13,15)18-11-5-9-15/h7,10,12H,2-6,8-9,11H2,1H3/t15-,16-/m1/s1
InChIKeyZDKPHBWPLISAIL-HZPDHXFCSA-N
MW246.35 g/mol
LogP3.57
Rot. Bonds

About (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one

(1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one (PubChem CID 66557308) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one.

Molecular Properties

Compound Name(1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one
PubChem CID66557308
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one
SMILESC[C@]12CCCCCC3=CC(=O)C=C[C@@]31OCCC2
InChIInChI=1S/C16H22O2/c1-15-8-4-2-3-6-13-12-14(17)7-10-16(13,15)18-11-5-9-15/h7,10,12H,2-6,8-9,11H2,1H3/t15-,16-/m1/s1
InChIKeyZDKPHBWPLISAIL-HZPDHXFCSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one with MolForge

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Related Compounds

(4aR,11aS)-4a-Methyl-3,4,4a,5,6,7-hexahydrobenzo[i]chromen-9(2H)-one
CID 66557206
(3aR,12aS)-3a-Methyl-3a,4,5,6,7,8-hexahydro-2H-benzo[1,8]cycloocta[1,2-b]furan-10(3H)-one
CID 66557276
(4aR,12aS)-4a-Methyl-4,4a,5,6,7,8-hexahydro-2H-benzo[1,7]cyclohepta[1,2-b]pyran-10(3H)-one
CID 66557285
(4aR,11aS)-4a-Methyl-3-methylene-3,4,4a,5,6,7-hexahydrobenzo[i]chromen-9(2H)-one
CID 66557286
(1R)-5-methyl-2-oxatricyclo[9.4.0.01,5]pentadeca-11,14-dien-13-one
CID 71728848

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one?
The IUPAC name of (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one (CID 66557308) is (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one.
What is the SMILES notation for (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one?
The canonical SMILES for (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one is C[C@]12CCCCCC3=CC(=O)C=C[C@@]31OCCC2.
What is the InChIKey of (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one?
The InChIKey is ZDKPHBWPLISAIL-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H22O2/c1-15-8-4-2-3-6-13-12-14(17)7-10-16(13,15)18-11-5-9-15/h7,10,12H,2-6,8-9,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one?
(1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one has a molecular weight of 246.35 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 (1S,6R)-6-methyl-2-oxatricyclo[10.4.0.01,6]hexadeca-12,15-dien-14-one is sourced from PubChem (CID 66557308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).