(11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one

C20H34O6 — CID 6443786

IUPAC(11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
SMILESCCC1CC(C)C(O)/C=C/C=C/CC(C)OC(=O)CC(O)C(OC)C1O
InChIInChI=1S/C20H34O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-17,19-22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+
InChIKeyXXZCIGRXZDOUGK-LQPGMRSMSA-N
MW370.49 g/mol
LogP1.97
Rot. Bonds2

About (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one

(11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one (PubChem CID 6443786) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one.

Molecular Properties

Compound Name(11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
PubChem CID6443786
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name(11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
SMILESCCC1CC(C)C(O)/C=C/C=C/CC(C)OC(=O)CC(O)C(OC)C1O
InChIInChI=1S/C20H34O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-17,19-22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+
InChIKeyXXZCIGRXZDOUGK-LQPGMRSMSA-N
XLogP1.97
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one?
The IUPAC name of (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one (CID 6443786) is (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one.
What is the SMILES notation for (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one?
The canonical SMILES for (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one is CCC1CC(C)C(O)/C=C/C=C/CC(C)OC(=O)CC(O)C(OC)C1O.
What is the InChIKey of (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one?
The InChIKey is XXZCIGRXZDOUGK-LQPGMRSMSA-N. The full InChI is InChI=1S/C20H34O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-17,19-22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+.
What are the key properties of (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one?
(11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one has a molecular weight of 370.49 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,13E)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one is sourced from PubChem (CID 6443786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).