(16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate

C19H26O6 — CID 143282496

IUPAC(16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate
SMILESCC(=O)OC1CCCCCc2cc(O)cc(O)c2C(=O)OCCCC1
InChIInChI=1S/C19H26O6/c1-13(20)25-16-8-4-2-3-7-14-11-15(21)12-17(22)18(14)19(23)24-10-6-5-9-16/h11-12,16,21-22H,2-10H2,1H3
InChIKeyZCAHFNNLDVVPEW-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.47
Rot. Bonds1

About (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate

(16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate (PubChem CID 143282496) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate.

Molecular Properties

Compound Name(16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate
PubChem CID143282496
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name(16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate
SMILESCC(=O)OC1CCCCCc2cc(O)cc(O)c2C(=O)OCCCC1
InChIInChI=1S/C19H26O6/c1-13(20)25-16-8-4-2-3-7-14-11-15(21)12-17(22)18(14)19(23)24-10-6-5-9-16/h11-12,16,21-22H,2-10H2,1H3
InChIKeyZCAHFNNLDVVPEW-UHFFFAOYSA-N
XLogP3.47
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate with MolForge

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Related Compounds

(2-oxo-oxacycloheptadec-7-yl) acetate
CID 54004174
6-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,9,10-tetrone
CID 91500671
(18-acetyloxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl) acetate
CID 53322265
(4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
CID 67884861
16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7-carbaldehyde
CID 56842251
cycloheptadecyl acetate
CID 57215828
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
(6-acetyloxycyclodecyl) acetate
CID 539578
(4S)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
CID 14562696
lithium;carbanide;cyclohexyl acetate
CID 158677387
[(3S)-oxocan-3-yl] acetate
CID 92981900

Frequently Asked Questions

What is the IUPAC name of (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate?
The IUPAC name of (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate (CID 143282496) is (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate.
What is the SMILES notation for (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate?
The canonical SMILES for (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate is CC(=O)OC1CCCCCc2cc(O)cc(O)c2C(=O)OCCCC1.
What is the InChIKey of (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate?
The InChIKey is ZCAHFNNLDVVPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O6/c1-13(20)25-16-8-4-2-3-7-14-11-15(21)12-17(22)18(14)19(23)24-10-6-5-9-16/h11-12,16,21-22H,2-10H2,1H3.
What are the key properties of (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate?
(16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate has a molecular weight of 350.41 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (16,18-dihydroxy-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-yl) acetate is sourced from PubChem (CID 143282496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).