(11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

C30H48O6 — CID 142245038

IUPAC(11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESC/C=C1\OC(=O)CC(O)CCC(CC)CC(CC)C(=O)/C=C/C(C)=C/C1COC1CC(C)CC(C)O1
InChIInChI=1S/C30H48O6/c1-7-23-11-12-26(31)18-29(33)36-28(9-3)25(19-34-30-16-21(5)14-22(6)35-30)15-20(4)10-13-27(32)24(8-2)17-23/h9-10,13,15,21-26,30-31H,7-8,11-12,14,16-19H2,1-6H3/b13-10+,20-15+,28-9-
InChIKeyMANUVSBAZODHDQ-ROYWCRCQSA-N
MW504.71 g/mol
LogP6.29
Rot. Bonds5

About (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

(11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (PubChem CID 142245038) has the molecular formula C30H48O6 and a molecular weight of 504.71 g/mol. Its IUPAC name is (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.

Molecular Properties

Compound Name(11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
PubChem CID142245038
Molecular FormulaC30H48O6
Molecular Weight504.71 g/mol
Exact Mass504.35
IUPAC Name(11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESC/C=C1\OC(=O)CC(O)CCC(CC)CC(CC)C(=O)/C=C/C(C)=C/C1COC1CC(C)CC(C)O1
InChIInChI=1S/C30H48O6/c1-7-23-11-12-26(31)18-29(33)36-28(9-3)25(19-34-30-16-21(5)14-22(6)35-30)15-20(4)10-13-27(32)24(8-2)17-23/h9-10,13,15,21-26,30-31H,7-8,11-12,14,16-19H2,1-6H3/b13-10+,20-15+,28-9-
InChIKeyMANUVSBAZODHDQ-ROYWCRCQSA-N
XLogP6.29
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.71
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The IUPAC name of (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (CID 142245038) is (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.
What is the SMILES notation for (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The canonical SMILES for (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is C/C=C1\OC(=O)CC(O)CCC(CC)CC(CC)C(=O)/C=C/C(C)=C/C1COC1CC(C)CC(C)O1.
What is the InChIKey of (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The InChIKey is MANUVSBAZODHDQ-ROYWCRCQSA-N. The full InChI is InChI=1S/C30H48O6/c1-7-23-11-12-26(31)18-29(33)36-28(9-3)25(19-34-30-16-21(5)14-22(6)35-30)15-20(4)10-13-27(32)24(8-2)17-23/h9-10,13,15,21-26,30-31H,7-8,11-12,14,16-19H2,1-6H3/b13-10+,20-15+,28-9-.
What are the key properties of (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
(11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione has a molecular weight of 504.71 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,13E,16Z)-15-[(4,6-dimethyloxan-2-yl)oxymethyl]-7,9-diethyl-16-ethylidene-4-hydroxy-13-methyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is sourced from PubChem (CID 142245038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).