(7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione

C19H24O6 — CID 5478093

IUPAC(7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
SMILESC/C1=C/C2OC(=O)C3(C)C2C(CC2(C)OC1=CC2=O)OC3(O)C(C)C
InChIInChI=1S/C19H24O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,9,12-13,15,22H,8H2,1-5H3/b10-6-
InChIKeyLOILTCBRRAVDAF-POHAHGRESA-N
MW348.40 g/mol
LogP1.87
Rot. Bonds1

About (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione

(7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione (PubChem CID 5478093) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione.

Molecular Properties

Compound Name(7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
PubChem CID5478093
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name(7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
SMILESC/C1=C/C2OC(=O)C3(C)C2C(CC2(C)OC1=CC2=O)OC3(O)C(C)C
InChIInChI=1S/C19H24O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,9,12-13,15,22H,8H2,1-5H3/b10-6-
InChIKeyLOILTCBRRAVDAF-POHAHGRESA-N
XLogP1.87
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione with MolForge

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Related Compounds

2-Butenoic acid, 2-methyl-, (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (2Z)-
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15-Deoxybudlein A
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15-Deoxygoyazensolide
CID 14314508
[(2Z,4R,8R,9S,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylpropanoate
CID 101565652
Heliangolide
CID 5384466
[(2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate
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CID 6440752

Frequently Asked Questions

What is the IUPAC name of (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione?
The IUPAC name of (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione (CID 5478093) is (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione.
What is the SMILES notation for (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione?
The canonical SMILES for (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione is C/C1=C/C2OC(=O)C3(C)C2C(CC2(C)OC1=CC2=O)OC3(O)C(C)C.
What is the InChIKey of (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione?
The InChIKey is LOILTCBRRAVDAF-POHAHGRESA-N. The full InChI is InChI=1S/C19H24O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,9,12-13,15,22H,8H2,1-5H3/b10-6-.
What are the key properties of (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione?
(7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione has a molecular weight of 348.40 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-13-hydroxy-3,7,12-trimethyl-13-propan-2-yl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione is sourced from PubChem (CID 5478093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).