(4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione

C19H24O4 — CID 162950126

IUPAC(4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
SMILESC[C@@H]1CC=CCCCCC(=O)Cc2cc(O)cc(O)c2C(=O)C1
InChIInChI=1S/C19H24O4/c1-13-7-5-3-2-4-6-8-15(20)10-14-11-16(21)12-18(23)19(14)17(22)9-13/h3,5,11-13,21,23H,2,4,6-10H2,1H3/t13-/m1/s1
InChIKeyRBWZLRHPBFGBPU-CYBMUJFWSA-N
MW316.40 g/mol
LogP3.94
Rot. Bonds

About (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione

(4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione (PubChem CID 162950126) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione.

Molecular Properties

Compound Name(4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
PubChem CID162950126
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
SMILESC[C@@H]1CC=CCCCCC(=O)Cc2cc(O)cc(O)c2C(=O)C1
InChIInChI=1S/C19H24O4/c1-13-7-5-3-2-4-6-8-15(20)10-14-11-16(21)12-18(23)19(14)17(22)9-13/h3,5,11-13,21,23H,2,4,6-10H2,1H3/t13-/m1/s1
InChIKeyRBWZLRHPBFGBPU-CYBMUJFWSA-N
XLogP3.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione with MolForge

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Related Compounds

17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
CID 163037258
(6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine
CID 159602893
16,18-dihydroxy-10-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
CID 162818716
(4R,6R,8R)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),16,18-triene-2,13-dione
CID 44566247
(6E,12E)-16,18-dihydroxy-4-methyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one
CID 24822989
16,18-dihydroxy-4-methyl-12-nitroso-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-2-one
CID 90830516
(4S)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 91567393
(5R)-12,14-dihydroxy-5-[(1S)-1-hydroxyethyl]-4-oxabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3,10-dione
CID 156581560
(4S,6E,12R)-12,16,18-trihydroxy-4-propan-2-yl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one
CID 131970790
14,16-dihydroxy-4,8-dimethyl-3,7-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-2,6,10-trione
CID 163149872
(5R,8R)-8-[(5R,9S)-13,15-dihydroxy-5-methyl-3,11-dioxo-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-9-yl]-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione
CID 163022171
(6E,10Z)-cyclopentadeca-6,10-dien-1-one
CID 12036583

Frequently Asked Questions

What is the IUPAC name of (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione?
The IUPAC name of (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione (CID 162950126) is (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione.
What is the SMILES notation for (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione?
The canonical SMILES for (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione is C[C@@H]1CC=CCCCCC(=O)Cc2cc(O)cc(O)c2C(=O)C1.
What is the InChIKey of (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione?
The InChIKey is RBWZLRHPBFGBPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24O4/c1-13-7-5-3-2-4-6-8-15(20)10-14-11-16(21)12-18(23)19(14)17(22)9-13/h3,5,11-13,21,23H,2,4,6-10H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione?
(4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione has a molecular weight of 316.40 g/mol, XLogP of 3.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione is sourced from PubChem (CID 162950126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).