5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol

C16H31NO4 — CID 154691414

IUPAC5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol
SMILESCC(C)CCN1C(=O)C=CC1(C)O.COC(C)(C)CCO
InChIInChI=1S/C10H17NO2.C6H14O2/c1-8(2)5-7-11-9(12)4-6-10(11,3)13;1-6(2,8-3)4-5-7/h4,6,8,13H,5,7H2,1-3H3;7H,4-5H2,1-3H3
InChIKeyDLVRDZFKHSQLAQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.93
Rot. Bonds6

About 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol

5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol (PubChem CID 154691414) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol
PubChem CID154691414
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol
SMILESCC(C)CCN1C(=O)C=CC1(C)O.COC(C)(C)CCO
InChIInChI=1S/C10H17NO2.C6H14O2/c1-8(2)5-7-11-9(12)4-6-10(11,3)13;1-6(2,8-3)4-5-7/h4,6,8,13H,5,7H2,1-3H3;7H,4-5H2,1-3H3
InChIKeyDLVRDZFKHSQLAQ-UHFFFAOYSA-N
XLogP1.93
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-1-(4-hydroxybutyl)-5-methylpyrrol-2-one
CID 122484532
5-Hydroxy-1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-5-methylpyrrol-2-one
CID 154691402
5-Hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one
CID 154691415

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol (CID 154691414) is 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol is CC(C)CCN1C(=O)C=CC1(C)O.COC(C)(C)CCO.
What is the InChIKey of 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol?
The InChIKey is DLVRDZFKHSQLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.C6H14O2/c1-8(2)5-7-11-9(12)4-6-10(11,3)13;1-6(2,8-3)4-5-7/h4,6,8,13H,5,7H2,1-3H3;7H,4-5H2,1-3H3.
What are the key properties of 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol?
5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol has a molecular weight of 301.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 154691414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).