(6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione

C17H18O4 — CID 143627405

IUPAC(6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
SMILESO=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cccc2C1
InChIInChI=1S/C17H18O4/c18-14-9-5-3-1-2-4-6-11-21-17(20)16-13(12-14)8-7-10-15(16)19/h2,4-5,7-10,19H,1,3,6,11-12H2/b4-2+,9-5+
InChIKeyXFWFDAUGEWZNIP-UDBWGUGXSA-N
MW286.33 g/mol
LogP2.96
Rot. Bonds

About (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione

(6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione (PubChem CID 143627405) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione.

Molecular Properties

Compound Name(6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
PubChem CID143627405
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
SMILESO=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cccc2C1
InChIInChI=1S/C17H18O4/c18-14-9-5-3-1-2-4-6-11-21-17(20)16-13(12-14)8-7-10-15(16)19/h2,4-5,7-10,19H,1,3,6,11-12H2/b4-2+,9-5+
InChIKeyXFWFDAUGEWZNIP-UDBWGUGXSA-N
XLogP2.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6E)-15-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 152773488
benzene;(6E,10E)-15-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 143627522
(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione
CID 143627391
(6Z,10S,12E)-10,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;hydrate
CID 162175228
(6E,10E)-16,18-dihydroxy-12-imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 121367043
(4S)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 91567393
(4S,6E,10E)-16,18-dihydroxy-4-(2-iodoethyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 163864150
(6E,10E,12E)-16,18-dihydroxy-12-(2-nitrosopropoxyimino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 143627393
(11E)-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(19),11,15,17-tetraene-2,13-dione
CID 143852736
2,3-dihydropyran-6-one
CID 520660
(6Z,10S,12E)-16-chloro-10,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 58750053
(6E,10E,12Z)-12-[[3-(2,5-dihydropyrrol-1-yl)oxiran-2-yl]methoxyimino]-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 172982706

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione?
The IUPAC name of (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione (CID 143627405) is (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione.
What is the SMILES notation for (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione?
The canonical SMILES for (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione is O=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cccc2C1.
What is the InChIKey of (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione?
The InChIKey is XFWFDAUGEWZNIP-UDBWGUGXSA-N. The full InChI is InChI=1S/C17H18O4/c18-14-9-5-3-1-2-4-6-11-21-17(20)16-13(12-14)8-7-10-15(16)19/h2,4-5,7-10,19H,1,3,6,11-12H2/b4-2+,9-5+.
What are the key properties of (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione?
(6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione has a molecular weight of 286.33 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione is sourced from PubChem (CID 143627405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).