(3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one

C15H20O4 — CID 44559540

IUPAC(3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one
SMILESCC1=C2C[C@H]3O[C@]3(C)CC[C@H]3O[C@@]3(C)C[C@@H]2OC1=O
InChIInChI=1S/C15H20O4/c1-8-9-6-12-14(2,19-12)5-4-11-15(3,18-11)7-10(9)17-13(8)16/h10-12H,4-7H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1
InChIKeyCWAJEURPJYKGRL-PRSHDEELSA-N
MW264.32 g/mol
LogP2.12
Rot. Bonds

About (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one

(3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one (PubChem CID 44559540) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one.

Molecular Properties

Compound Name(3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one
PubChem CID44559540
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one
SMILESCC1=C2C[C@H]3O[C@]3(C)CC[C@H]3O[C@@]3(C)C[C@@H]2OC1=O
InChIInChI=1S/C15H20O4/c1-8-9-6-12-14(2,19-12)5-4-11-15(3,18-11)7-10(9)17-13(8)16/h10-12H,4-7H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1
InChIKeyCWAJEURPJYKGRL-PRSHDEELSA-N
XLogP2.12
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one?
The IUPAC name of (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one (CID 44559540) is (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one.
What is the SMILES notation for (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one?
The canonical SMILES for (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one is CC1=C2C[C@H]3O[C@]3(C)CC[C@H]3O[C@@]3(C)C[C@@H]2OC1=O.
What is the InChIKey of (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one?
The InChIKey is CWAJEURPJYKGRL-PRSHDEELSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-9-6-12-14(2,19-12)5-4-11-15(3,18-11)7-10(9)17-13(8)16/h10-12H,4-7H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1.
What are the key properties of (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one?
(3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one has a molecular weight of 264.32 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,8R,10S,12S)-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one is sourced from PubChem (CID 44559540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).