(1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one

C15H18O2 — CID 138525461

IUPAC(1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one
SMILESC[C@@]12C=C[C@]3(CCCC3CC3=C1C(=O)CC3)O2
InChIInChI=1S/C15H18O2/c1-14-7-8-15(17-14)6-2-3-11(15)9-10-4-5-12(16)13(10)14/h7-8,11H,2-6,9H2,1H3/t11?,14-,15+/m1/s1
InChIKeyBLZAMBRZICPPPI-JBAPVGOWSA-N
MW230.31 g/mol
LogP2.93
Rot. Bonds

About (1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one

(1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one (PubChem CID 138525461) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one.

Molecular Properties

Compound Name(1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one
PubChem CID138525461
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one
SMILESC[C@@]12C=C[C@]3(CCCC3CC3=C1C(=O)CC3)O2
InChIInChI=1S/C15H18O2/c1-14-7-8-15(17-14)6-2-3-11(15)9-10-4-5-12(16)13(10)14/h7-8,11H,2-6,9H2,1H3/t11?,14-,15+/m1/s1
InChIKeyBLZAMBRZICPPPI-JBAPVGOWSA-N
XLogP2.93
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 ≤ 52.93
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,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one?
The IUPAC name of (1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one (CID 138525461) is (1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one.
What is the SMILES notation for (1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one?
The canonical SMILES for (1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one is C[C@@]12C=C[C@]3(CCCC3CC3=C1C(=O)CC3)O2.
What is the InChIKey of (1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one?
The InChIKey is BLZAMBRZICPPPI-JBAPVGOWSA-N. The full InChI is InChI=1S/C15H18O2/c1-14-7-8-15(17-14)6-2-3-11(15)9-10-4-5-12(16)13(10)14/h7-8,11H,2-6,9H2,1H3/t11?,14-,15+/m1/s1.
What are the key properties of (1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one?
(1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one has a molecular weight of 230.31 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12R)-12-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-10-one is sourced from PubChem (CID 138525461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).