2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one

C17H30O3 — CID 163026985

IUPAC2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one
SMILESCCCCCCCCCCC1(C)OC(CCO)=CC1=O
InChIInChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-12-17(2)16(19)14-15(20-17)11-13-18/h14,18H,3-13H2,1-2H3
InChIKeyPEIQCRJGEOKDNP-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.14
Rot. Bonds11

About 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one

2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one (PubChem CID 163026985) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one.

Molecular Properties

Compound Name2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one
PubChem CID163026985
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one
SMILESCCCCCCCCCCC1(C)OC(CCO)=CC1=O
InChIInChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-12-17(2)16(19)14-15(20-17)11-13-18/h14,18H,3-13H2,1-2H3
InChIKeyPEIQCRJGEOKDNP-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one?
The IUPAC name of 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one (CID 163026985) is 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one.
What is the SMILES notation for 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one?
The canonical SMILES for 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one is CCCCCCCCCCC1(C)OC(CCO)=CC1=O.
What is the InChIKey of 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one?
The InChIKey is PEIQCRJGEOKDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-12-17(2)16(19)14-15(20-17)11-13-18/h14,18H,3-13H2,1-2H3.
What are the key properties of 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one?
2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one has a molecular weight of 282.42 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one is sourced from PubChem (CID 163026985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).