(1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione

C19H24O6 — CID 129416156

IUPAC(1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione
SMILESCC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@H]2[C@@H](O)[C@@H]2OC(=O)[C@H]1[C@H]2C
InChIInChI=1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5,8-9,12-16,22-23H,6H2,1-4H3/t8-,9-,12-,13+,14-,15+,16-,18+,19+/m1/s1
InChIKeyOGHYZHNTIINXEO-UAMBNBINSA-N
MW348.40 g/mol
LogP0.65
Rot. Bonds

About (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione

(1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione (PubChem CID 129416156) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione.

Molecular Properties

Compound Name(1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione
PubChem CID129416156
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name(1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione
SMILESCC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@H]2[C@@H](O)[C@@H]2OC(=O)[C@H]1[C@H]2C
InChIInChI=1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5,8-9,12-16,22-23H,6H2,1-4H3/t8-,9-,12-,13+,14-,15+,16-,18+,19+/m1/s1
InChIKeyOGHYZHNTIINXEO-UAMBNBINSA-N
XLogP0.65
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione?
The IUPAC name of (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione (CID 129416156) is (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione.
What is the SMILES notation for (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione?
The canonical SMILES for (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione is CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@H]2[C@@H](O)[C@@H]2OC(=O)[C@H]1[C@H]2C.
What is the InChIKey of (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione?
The InChIKey is OGHYZHNTIINXEO-UAMBNBINSA-N. The full InChI is InChI=1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5,8-9,12-16,22-23H,6H2,1-4H3/t8-,9-,12-,13+,14-,15+,16-,18+,19+/m1/s1.
What are the key properties of (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione?
(1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione has a molecular weight of 348.40 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,9S,10S,11S,12R,13R,16R)-9,12-dihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-6-ene-3,8,15-trione is sourced from PubChem (CID 129416156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).