(3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione

C18H30O4 — CID 142437243

IUPAC(3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione
SMILESCO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)/C(C)=C\C1=O
InChIInChI=1S/C18H30O4/c1-14-13-16(19)17(21-3)12-10-8-6-4-5-7-9-11-15(2)22-18(14)20/h13,15,17H,4-12H2,1-3H3/b14-13-/t15-,17+/m1/s1
InChIKeyNUCGBBVISCVKBD-YTFDHPGHSA-N
MW310.43 g/mol
LogP3.97
Rot. Bonds1

About (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione

(3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione (PubChem CID 142437243) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione.

Molecular Properties

Compound Name(3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione
PubChem CID142437243
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione
SMILESCO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)/C(C)=C\C1=O
InChIInChI=1S/C18H30O4/c1-14-13-16(19)17(21-3)12-10-8-6-4-5-7-9-11-15(2)22-18(14)20/h13,15,17H,4-12H2,1-3H3/b14-13-/t15-,17+/m1/s1
InChIKeyNUCGBBVISCVKBD-YTFDHPGHSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione with MolForge

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Related Compounds

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Muridienin 3
CID 131751209
Muridienin 2
CID 131751211
Hexadecanoic acid 5-(2,2-dimethyl-propionyloxy)-4-oxo-4H-pyran-2-ylmethyl ester
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Octadecanoic acid 5-(2,2-dimethyl-propionyloxy)-4-oxo-4H-pyran-2-ylmethyl ester
CID 14089170

Frequently Asked Questions

What is the IUPAC name of (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione?
The IUPAC name of (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione (CID 142437243) is (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione.
What is the SMILES notation for (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione?
The canonical SMILES for (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione is CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)/C(C)=C\C1=O.
What is the InChIKey of (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione?
The InChIKey is NUCGBBVISCVKBD-YTFDHPGHSA-N. The full InChI is InChI=1S/C18H30O4/c1-14-13-16(19)17(21-3)12-10-8-6-4-5-7-9-11-15(2)22-18(14)20/h13,15,17H,4-12H2,1-3H3/b14-13-/t15-,17+/m1/s1.
What are the key properties of (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione?
(3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione has a molecular weight of 310.43 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione is sourced from PubChem (CID 142437243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).