2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one

C14H22O5 — CID 10378424

IUPAC2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one
SMILESC=C(C)CCCC(OCOC)C1OC(O)C=CC1=O
InChIInChI=1S/C14H22O5/c1-10(2)5-4-6-12(18-9-17-3)14-11(15)7-8-13(16)19-14/h7-8,12-14,16H,1,4-6,9H2,2-3H3
InChIKeyWUWPEYADNJIODI-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.56
Rot. Bonds8

About 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one

2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one (PubChem CID 10378424) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one
PubChem CID10378424
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one
SMILESC=C(C)CCCC(OCOC)C1OC(O)C=CC1=O
InChIInChI=1S/C14H22O5/c1-10(2)5-4-6-12(18-9-17-3)14-11(15)7-8-13(16)19-14/h7-8,12-14,16H,1,4-6,9H2,2-3H3
InChIKeyWUWPEYADNJIODI-UHFFFAOYSA-N
XLogP1.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one (CID 10378424) is 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one is C=C(C)CCCC(OCOC)C1OC(O)C=CC1=O.
What is the InChIKey of 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one?
The InChIKey is WUWPEYADNJIODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-10(2)5-4-6-12(18-9-17-3)14-11(15)7-8-13(16)19-14/h7-8,12-14,16H,1,4-6,9H2,2-3H3.
What are the key properties of 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one?
2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one has a molecular weight of 270.32 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[1-(methoxymethoxy)-5-methylhex-5-enyl]-2H-pyran-5-one is sourced from PubChem (CID 10378424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).