(1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one

C15H24O4 — CID 53362621

IUPAC(1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one
SMILESC[C@H]1CCCCC[C@@H]2OC(C)(C)O[C@H]2/C=C/C(=O)O1
InChIInChI=1S/C15H24O4/c1-11-7-5-4-6-8-12-13(9-10-14(16)17-11)19-15(2,3)18-12/h9-13H,4-8H2,1-3H3/b10-9+/t11-,12-,13-/m0/s1
InChIKeyCNGLQDOYAGGHJD-SVXIUJPZSA-N
MW268.35 g/mol
LogP2.96
Rot. Bonds

About (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one

(1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one (PubChem CID 53362621) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one.

Molecular Properties

Compound Name(1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one
PubChem CID53362621
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one
SMILESC[C@H]1CCCCC[C@@H]2OC(C)(C)O[C@H]2/C=C/C(=O)O1
InChIInChI=1S/C15H24O4/c1-11-7-5-4-6-8-12-13(9-10-14(16)17-11)19-15(2,3)18-12/h9-13H,4-8H2,1-3H3/b10-9+/t11-,12-,13-/m0/s1
InChIKeyCNGLQDOYAGGHJD-SVXIUJPZSA-N
XLogP2.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one with MolForge

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Related Compounds

5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
5-hexylfuran-2(5H)-one
CID 102833
5-Octyl-2(5H)-furanone
CID 86623
Boronolide
CID 10474298
(6R)-6-Nonyl-5,6-dihydro-2H-pyran-2-one
CID 11629959
(R)-Dodec-2-en-1,5-olide
CID 71351181
2(5H)-Furanone, 5-heptyl-
CID 11041360
6-Nonyl-5,6-dihydro-2H-pyran-2-one
CID 15825660
(R)-5-Tridecylfuran-2(5H)-one
CID 10423057
(2S)-2-[(1S,7R)-1,7-dihydroxyoctyl]-2H-furan-5-one
CID 11601051
methyl (E)-4-[(2R,3S)-3-acetyloxyoxan-2-yl]but-2-enoate
CID 44397639
(2R)-2-nonyl-2H-furan-5-one
CID 129383800

Frequently Asked Questions

What is the IUPAC name of (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one?
The IUPAC name of (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one (CID 53362621) is (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one.
What is the SMILES notation for (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one?
The canonical SMILES for (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one is C[C@H]1CCCCC[C@@H]2OC(C)(C)O[C@H]2/C=C/C(=O)O1.
What is the InChIKey of (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one?
The InChIKey is CNGLQDOYAGGHJD-SVXIUJPZSA-N. The full InChI is InChI=1S/C15H24O4/c1-11-7-5-4-6-8-12-13(9-10-14(16)17-11)19-15(2,3)18-12/h9-13H,4-8H2,1-3H3/b10-9+/t11-,12-,13-/m0/s1.
What are the key properties of (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one?
(1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one has a molecular weight of 268.35 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one is sourced from PubChem (CID 53362621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).