(9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione

C23H36O7 — CID 6443575

IUPAC(9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione
SMILESCCC1OC(=O)CC(O)C(C)C2OC(O)CC2CC(C)C(=O)/C=C/C(C)=C/C1CO
InChIInChI=1S/C23H36O7/c1-5-20-17(12-24)8-13(2)6-7-18(25)14(3)9-16-10-21(27)30-23(16)15(4)19(26)11-22(28)29-20/h6-8,14-17,19-21,23-24,26-27H,5,9-12H2,1-4H3/b7-6+,13-8+
InChIKeyUPYARILZUZMXKV-GTTXMNNRSA-N
MW424.53 g/mol
LogP2.14
Rot. Bonds2

About (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione

(9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione (PubChem CID 6443575) has the molecular formula C23H36O7 and a molecular weight of 424.53 g/mol. Its IUPAC name is (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione.

Molecular Properties

Compound Name(9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione
PubChem CID6443575
Molecular FormulaC23H36O7
Molecular Weight424.53 g/mol
Exact Mass424.25
IUPAC Name(9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione
SMILESCCC1OC(=O)CC(O)C(C)C2OC(O)CC2CC(C)C(=O)/C=C/C(C)=C/C1CO
InChIInChI=1S/C23H36O7/c1-5-20-17(12-24)8-13(2)6-7-18(25)14(3)9-16-10-21(27)30-23(16)15(4)19(26)11-22(28)29-20/h6-8,14-17,19-21,23-24,26-27H,5,9-12H2,1-4H3/b7-6+,13-8+
InChIKeyUPYARILZUZMXKV-GTTXMNNRSA-N
XLogP2.14
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione?
The IUPAC name of (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione (CID 6443575) is (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione.
What is the SMILES notation for (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione?
The canonical SMILES for (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione is CCC1OC(=O)CC(O)C(C)C2OC(O)CC2CC(C)C(=O)/C=C/C(C)=C/C1CO.
What is the InChIKey of (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione?
The InChIKey is UPYARILZUZMXKV-GTTXMNNRSA-N. The full InChI is InChI=1S/C23H36O7/c1-5-20-17(12-24)8-13(2)6-7-18(25)14(3)9-16-10-21(27)30-23(16)15(4)19(26)11-22(28)29-20/h6-8,14-17,19-21,23-24,26-27H,5,9-12H2,1-4H3/b7-6+,13-8+.
What are the key properties of (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione?
(9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione has a molecular weight of 424.53 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,11E)-7-ethyl-3,18-dihydroxy-8-(hydroxymethyl)-2,10,14-trimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione is sourced from PubChem (CID 6443575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).