(5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one

C22H32O2 — CID 70995954

IUPAC(5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one
SMILESCC12CCCCO[C@@H]3CC3C1C1CCC3=CC(=O)CCC3C1CC2
InChIInChI=1S/C22H32O2/c1-22-9-2-3-11-24-20-13-19(20)21(22)18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-22/h12,16-21H,2-11,13H2,1H3/t16?,17?,18?,19?,20-,21?,22?/m1/s1
InChIKeyVFWWOBYUOSQHIA-IKLWRHPWSA-N
MW328.50 g/mol
LogP4.92
Rot. Bonds

About (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one

(5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one (PubChem CID 70995954) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one.

Molecular Properties

Compound Name(5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one
PubChem CID70995954
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name(5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one
SMILESCC12CCCCO[C@@H]3CC3C1C1CCC3=CC(=O)CCC3C1CC2
InChIInChI=1S/C22H32O2/c1-22-9-2-3-11-24-20-13-19(20)21(22)18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-22/h12,16-21H,2-11,13H2,1H3/t16?,17?,18?,19?,20-,21?,22?/m1/s1
InChIKeyVFWWOBYUOSQHIA-IKLWRHPWSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one?
The IUPAC name of (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one (CID 70995954) is (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one.
What is the SMILES notation for (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one?
The canonical SMILES for (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one is CC12CCCCO[C@@H]3CC3C1C1CCC3=CC(=O)CCC3C1CC2.
What is the InChIKey of (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one?
The InChIKey is VFWWOBYUOSQHIA-IKLWRHPWSA-N. The full InChI is InChI=1S/C22H32O2/c1-22-9-2-3-11-24-20-13-19(20)21(22)18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-22/h12,16-21H,2-11,13H2,1H3/t16?,17?,18?,19?,20-,21?,22?/m1/s1.
What are the key properties of (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one?
(5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one has a molecular weight of 328.50 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one is sourced from PubChem (CID 70995954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).