6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one

C22H30O6 — CID 4591724

IUPAC6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one
SMILESCc1cc(OCCCCCCCCCCOc2cc(C)oc(=O)c2)cc(=O)o1
InChIInChI=1S/C22H30O6/c1-17-13-19(15-21(23)27-17)25-11-9-7-5-3-4-6-8-10-12-26-20-14-18(2)28-22(24)16-20/h13-16H,3-12H2,1-2H3
InChIKeyLZWKUABNTHAXHT-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.79
Rot. Bonds13

About 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one

6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one (PubChem CID 4591724) has the molecular formula C22H30O6 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one.

Molecular Properties

Compound Name6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one
PubChem CID4591724
Molecular FormulaC22H30O6
Molecular Weight390.48 g/mol
Exact Mass390.20
IUPAC Name6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one
SMILESCc1cc(OCCCCCCCCCCOc2cc(C)oc(=O)c2)cc(=O)o1
InChIInChI=1S/C22H30O6/c1-17-13-19(15-21(23)27-17)25-11-9-7-5-3-4-6-8-10-12-26-20-14-18(2)28-22(24)16-20/h13-16H,3-12H2,1-2H3
InChIKeyLZWKUABNTHAXHT-UHFFFAOYSA-N
XLogP4.79
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-dodecoxy-6-methylpyran-2-one
CID 122182825
4-(2-aminopropoxy)-6-methylpyran-2-one
CID 86262436
(2-methyl-6-oxopyran-4-yl) 4-propanoyloxybutanoate
CID 163773380
6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one
CID 54300411
6-(1-aminobutyl)-4-heptoxypyran-2-one
CID 154956435
4-[1-(4-butoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628996
6-decoxy-4-methylchromen-2-one
CID 3818631
6-butoxy-4-methylchromen-2-one
CID 91726871
(2-methyl-6-oxopyran-4-yl) 2-ethylhexanoate
CID 67958835
1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
CID 59168458
5-(4-methyl-2-oxochromen-7-yl)oxypentanenitrile
CID 60673473
1,3,5-tributoxybenzene
CID 15933337

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one?
The IUPAC name of 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one (CID 4591724) is 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one.
What is the SMILES notation for 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one?
The canonical SMILES for 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one is Cc1cc(OCCCCCCCCCCOc2cc(C)oc(=O)c2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one?
The InChIKey is LZWKUABNTHAXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O6/c1-17-13-19(15-21(23)27-17)25-11-9-7-5-3-4-6-8-10-12-26-20-14-18(2)28-22(24)16-20/h13-16H,3-12H2,1-2H3.
What are the key properties of 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one?
6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one has a molecular weight of 390.48 g/mol, XLogP of 4.79, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[10-(2-methyl-6-oxopyran-4-yl)oxydecoxy]pyran-2-one is sourced from PubChem (CID 4591724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).