(1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one

C14H18O5 — CID 11108278

IUPAC(1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one
SMILESC[C@H]1C(=O)C=C2CO[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@@H]3[C@@H]21
InChIInChI=1S/C14H18O5/c1-6-8(15)4-7-5-16-11-10(9(6)7)17-13-12(11)18-14(2,3)19-13/h4,6,9-13H,5H2,1-3H3/t6-,9+,10+,11-,12+,13+/m0/s1
InChIKeyOPDCXBJEXVCEMF-ZIZZOTJTSA-N
MW266.29 g/mol
LogP1.02
Rot. Bonds

About (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one

(1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one (PubChem CID 11108278) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one.

Molecular Properties

Compound Name(1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one
PubChem CID11108278
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one
SMILESC[C@H]1C(=O)C=C2CO[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@@H]3[C@@H]21
InChIInChI=1S/C14H18O5/c1-6-8(15)4-7-5-16-11-10(9(6)7)17-13-12(11)18-14(2,3)19-13/h4,6,9-13H,5H2,1-3H3/t6-,9+,10+,11-,12+,13+/m0/s1
InChIKeyOPDCXBJEXVCEMF-ZIZZOTJTSA-N
XLogP1.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one?
The IUPAC name of (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one (CID 11108278) is (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one.
What is the SMILES notation for (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one?
The canonical SMILES for (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one is C[C@H]1C(=O)C=C2CO[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@@H]3[C@@H]21.
What is the InChIKey of (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one?
The InChIKey is OPDCXBJEXVCEMF-ZIZZOTJTSA-N. The full InChI is InChI=1S/C14H18O5/c1-6-8(15)4-7-5-16-11-10(9(6)7)17-13-12(11)18-14(2,3)19-13/h4,6,9-13H,5H2,1-3H3/t6-,9+,10+,11-,12+,13+/m0/s1.
What are the key properties of (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one?
(1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one has a molecular weight of 266.29 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,9S,10R,14R)-3,12,12-trimethyl-8,11,13,15-tetraoxatetracyclo[7.6.0.02,6.010,14]pentadec-5-en-4-one is sourced from PubChem (CID 11108278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).