(4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one

C18H22O2 — CID 149431891

IUPAC(4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one
SMILESC[C@@H]1CCCC=CC=CCCc2ccccc2C(=O)O1
InChIInChI=1S/C18H22O2/c1-15-11-7-5-3-2-4-6-8-12-16-13-9-10-14-17(16)18(19)20-15/h2-4,6,9-10,13-15H,5,7-8,11-12H2,1H3/t15-/m1/s1
InChIKeyGTJOIEGVAPJUNK-OAHLLOKOSA-N
MW270.37 g/mol
LogP4.46
Rot. Bonds

About (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one

(4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one (PubChem CID 149431891) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one
PubChem CID149431891
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one
SMILESC[C@@H]1CCCC=CC=CCCc2ccccc2C(=O)O1
InChIInChI=1S/C18H22O2/c1-15-11-7-5-3-2-4-6-8-12-16-13-9-10-14-17(16)18(19)20-15/h2-4,6,9-10,13-15H,5,7-8,11-12H2,1H3/t15-/m1/s1
InChIKeyGTJOIEGVAPJUNK-OAHLLOKOSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one?
The IUPAC name of (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one (CID 149431891) is (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one.
What is the SMILES notation for (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one?
The canonical SMILES for (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one is C[C@@H]1CCCC=CC=CCCc2ccccc2C(=O)O1.
What is the InChIKey of (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one?
The InChIKey is GTJOIEGVAPJUNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22O2/c1-15-11-7-5-3-2-4-6-8-12-16-13-9-10-14-17(16)18(19)20-15/h2-4,6,9-10,13-15H,5,7-8,11-12H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one?
(4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one has a molecular weight of 270.37 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),8,10,14,16-pentaen-2-one is sourced from PubChem (CID 149431891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).