4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one

C20H32O4 — CID 16758921

IUPAC4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one
SMILESCOC(c1ccccc1)C(C)C(OC)C(C)C(OC)C(C)C(C)=O
InChIInChI=1S/C20H32O4/c1-13(16(4)21)18(22-5)14(2)19(23-6)15(3)20(24-7)17-11-9-8-10-12-17/h8-15,18-20H,1-7H3
InChIKeyWPRYXYGHRKNLKD-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.90
Rot. Bonds10

About 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one

4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one (PubChem CID 16758921) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one.

Molecular Properties

Compound Name4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one
PubChem CID16758921
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one
SMILESCOC(c1ccccc1)C(C)C(OC)C(C)C(OC)C(C)C(C)=O
InChIInChI=1S/C20H32O4/c1-13(16(4)21)18(22-5)14(2)19(23-6)15(3)20(24-7)17-11-9-8-10-12-17/h8-15,18-20H,1-7H3
InChIKeyWPRYXYGHRKNLKD-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one?
The IUPAC name of 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one (CID 16758921) is 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one.
What is the SMILES notation for 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one?
The canonical SMILES for 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one is COC(c1ccccc1)C(C)C(OC)C(C)C(OC)C(C)C(C)=O.
What is the InChIKey of 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one?
The InChIKey is WPRYXYGHRKNLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-13(16(4)21)18(22-5)14(2)19(23-6)15(3)20(24-7)17-11-9-8-10-12-17/h8-15,18-20H,1-7H3.
What are the key properties of 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one?
4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one has a molecular weight of 336.47 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethoxy-3,5,7-trimethyl-8-phenyloctan-2-one is sourced from PubChem (CID 16758921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).