(Z)-1-hydroxy-2-methylpent-1-en-3-one

C6H10O2 — CID 10606718

IUPAC(Z)-1-hydroxy-2-methylpent-1-en-3-one
SMILESCCC(=O)/C(C)=C\O
InChIInChI=1S/C6H10O2/c1-3-6(8)5(2)4-7/h4,7H,3H2,1-2H3/b5-4-
InChIKeyRBSRVLAVTIXANZ-PLNGDYQASA-N
MW114.14 g/mol
LogP1.43
Rot. Bonds2

About (Z)-1-hydroxy-2-methylpent-1-en-3-one

(Z)-1-hydroxy-2-methylpent-1-en-3-one (PubChem CID 10606718) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (Z)-1-hydroxy-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-hydroxy-2-methylpent-1-en-3-one
PubChem CID10606718
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(Z)-1-hydroxy-2-methylpent-1-en-3-one
SMILESCCC(=O)/C(C)=C\O
InChIInChI=1S/C6H10O2/c1-3-6(8)5(2)4-7/h4,7H,3H2,1-2H3/b5-4-
InChIKeyRBSRVLAVTIXANZ-PLNGDYQASA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-hydroxy-2-methylpent-1-en-3-one?
The IUPAC name of (Z)-1-hydroxy-2-methylpent-1-en-3-one (CID 10606718) is (Z)-1-hydroxy-2-methylpent-1-en-3-one.
What is the SMILES notation for (Z)-1-hydroxy-2-methylpent-1-en-3-one?
The canonical SMILES for (Z)-1-hydroxy-2-methylpent-1-en-3-one is CCC(=O)/C(C)=C\O.
What is the InChIKey of (Z)-1-hydroxy-2-methylpent-1-en-3-one?
The InChIKey is RBSRVLAVTIXANZ-PLNGDYQASA-N. The full InChI is InChI=1S/C6H10O2/c1-3-6(8)5(2)4-7/h4,7H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-1-hydroxy-2-methylpent-1-en-3-one?
(Z)-1-hydroxy-2-methylpent-1-en-3-one has a molecular weight of 114.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hydroxy-2-methylpent-1-en-3-one is sourced from PubChem (CID 10606718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).