(3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione

C16H26O4 — CID 10517031

IUPAC(3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione
SMILESC[C@@H]1CCCCCCCCC[C@H](O)C(=O)/C=C/C(=O)O1
InChIInChI=1S/C16H26O4/c1-13-9-7-5-3-2-4-6-8-10-14(17)15(18)11-12-16(19)20-13/h11-14,17H,2-10H2,1H3/b12-11+/t13-,14+/m1/s1
InChIKeyRCRUIACHYDRBJM-WLDGIZNKSA-N
MW282.38 g/mol
LogP2.93
Rot. Bonds

About (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione

(3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione (PubChem CID 10517031) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione.

Molecular Properties

Compound Name(3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione
PubChem CID10517031
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione
SMILESC[C@@H]1CCCCCCCCC[C@H](O)C(=O)/C=C/C(=O)O1
InChIInChI=1S/C16H26O4/c1-13-9-7-5-3-2-4-6-8-10-14(17)15(18)11-12-16(19)20-13/h11-14,17H,2-10H2,1H3/b12-11+/t13-,14+/m1/s1
InChIKeyRCRUIACHYDRBJM-WLDGIZNKSA-N
XLogP2.93
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione?
The IUPAC name of (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione (CID 10517031) is (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione.
What is the SMILES notation for (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione?
The canonical SMILES for (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione is C[C@@H]1CCCCCCCCC[C@H](O)C(=O)/C=C/C(=O)O1.
What is the InChIKey of (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione?
The InChIKey is RCRUIACHYDRBJM-WLDGIZNKSA-N. The full InChI is InChI=1S/C16H26O4/c1-13-9-7-5-3-2-4-6-8-10-14(17)15(18)11-12-16(19)20-13/h11-14,17H,2-10H2,1H3/b12-11+/t13-,14+/m1/s1.
What are the key properties of (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione?
(3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione is sourced from PubChem (CID 10517031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).