(1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one

C15H18O2 — CID 11276282

IUPAC(1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one
SMILESC[C@H]1O[C@H]2C3=C(C(=O)CCC3)[C@@H]1[C@@H]1CC=C[C@@H]12
InChIInChI=1S/C15H18O2/c1-8-13-9-4-2-5-10(9)15(17-8)11-6-3-7-12(16)14(11)13/h2,5,8-10,13,15H,3-4,6-7H2,1H3/t8-,9-,10+,13+,15-/m1/s1
InChIKeyZJGDMRRKUANSNF-GVBHRIMQSA-N
MW230.31 g/mol
LogP2.65
Rot. Bonds

About (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one

(1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one (PubChem CID 11276282) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one.

Molecular Properties

Compound Name(1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one
PubChem CID11276282
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one
SMILESC[C@H]1O[C@H]2C3=C(C(=O)CCC3)[C@@H]1[C@@H]1CC=C[C@@H]12
InChIInChI=1S/C15H18O2/c1-8-13-9-4-2-5-10(9)15(17-8)11-6-3-7-12(16)14(11)13/h2,5,8-10,13,15H,3-4,6-7H2,1H3/t8-,9-,10+,13+,15-/m1/s1
InChIKeyZJGDMRRKUANSNF-GVBHRIMQSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one?
The IUPAC name of (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one (CID 11276282) is (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one.
What is the SMILES notation for (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one?
The canonical SMILES for (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one is C[C@H]1O[C@H]2C3=C(C(=O)CCC3)[C@@H]1[C@@H]1CC=C[C@@H]12.
What is the InChIKey of (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one?
The InChIKey is ZJGDMRRKUANSNF-GVBHRIMQSA-N. The full InChI is InChI=1S/C15H18O2/c1-8-13-9-4-2-5-10(9)15(17-8)11-6-3-7-12(16)14(11)13/h2,5,8-10,13,15H,3-4,6-7H2,1H3/t8-,9-,10+,13+,15-/m1/s1.
What are the key properties of (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one?
(1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one has a molecular weight of 230.31 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,9R,13S,15R)-15-methyl-14-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),11-dien-6-one is sourced from PubChem (CID 11276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).