(3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene

C15H20O3 — CID 162941705

IUPAC(3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene
SMILESCc1coc2c1CC[C@]1(C)O[C@H]1C[C@H]1O[C@]1(C)C2
InChIInChI=1S/C15H20O3/c1-9-8-16-11-7-15(3)13(18-15)6-12-14(2,17-12)5-4-10(9)11/h8,12-13H,4-7H2,1-3H3/t12-,13+,14-,15+/m0/s1
InChIKeyLUEPGBCIUHFPLO-LJISPDSOSA-N
MW248.32 g/mol
LogP2.78
Rot. Bonds

About (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene

(3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene (PubChem CID 162941705) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene.

Molecular Properties

Compound Name(3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene
PubChem CID162941705
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene
SMILESCc1coc2c1CC[C@]1(C)O[C@H]1C[C@H]1O[C@]1(C)C2
InChIInChI=1S/C15H20O3/c1-9-8-16-11-7-15(3)13(18-15)6-12-14(2,17-12)5-4-10(9)11/h8,12-13H,4-7H2,1-3H3/t12-,13+,14-,15+/m0/s1
InChIKeyLUEPGBCIUHFPLO-LJISPDSOSA-N
XLogP2.78
TPSA38.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene?
The IUPAC name of (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene (CID 162941705) is (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene.
What is the SMILES notation for (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene?
The canonical SMILES for (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene is Cc1coc2c1CC[C@]1(C)O[C@H]1C[C@H]1O[C@]1(C)C2.
What is the InChIKey of (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene?
The InChIKey is LUEPGBCIUHFPLO-LJISPDSOSA-N. The full InChI is InChI=1S/C15H20O3/c1-9-8-16-11-7-15(3)13(18-15)6-12-14(2,17-12)5-4-10(9)11/h8,12-13H,4-7H2,1-3H3/t12-,13+,14-,15+/m0/s1.
What are the key properties of (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene?
(3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene has a molecular weight of 248.32 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,7S,9S)-3,9,13-trimethyl-4,8,15-trioxatetracyclo[10.3.0.03,5.07,9]pentadeca-1(12),13-diene is sourced from PubChem (CID 162941705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).