(4R)-4-methoxypent-1-en-3-one

C6H10O2 — CID 126552718

IUPAC(4R)-4-methoxypent-1-en-3-one
SMILESC=CC(=O)[C@@H](C)OC
InChIInChI=1S/C6H10O2/c1-4-6(7)5(2)8-3/h4-5H,1H2,2-3H3/t5-/m1/s1
InChIKeyXMUCNSQNVDKUGR-RXMQYKEDSA-N
MW114.14 g/mol
LogP0.78
Rot. Bonds3

About (4R)-4-methoxypent-1-en-3-one

(4R)-4-methoxypent-1-en-3-one (PubChem CID 126552718) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (4R)-4-methoxypent-1-en-3-one.

Molecular Properties

Compound Name(4R)-4-methoxypent-1-en-3-one
PubChem CID126552718
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(4R)-4-methoxypent-1-en-3-one
SMILESC=CC(=O)[C@@H](C)OC
InChIInChI=1S/C6H10O2/c1-4-6(7)5(2)8-3/h4-5H,1H2,2-3H3/t5-/m1/s1
InChIKeyXMUCNSQNVDKUGR-RXMQYKEDSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxypent-1-en-3-one?
The IUPAC name of (4R)-4-methoxypent-1-en-3-one (CID 126552718) is (4R)-4-methoxypent-1-en-3-one.
What is the SMILES notation for (4R)-4-methoxypent-1-en-3-one?
The canonical SMILES for (4R)-4-methoxypent-1-en-3-one is C=CC(=O)[C@@H](C)OC.
What is the InChIKey of (4R)-4-methoxypent-1-en-3-one?
The InChIKey is XMUCNSQNVDKUGR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-6(7)5(2)8-3/h4-5H,1H2,2-3H3/t5-/m1/s1.
What are the key properties of (4R)-4-methoxypent-1-en-3-one?
(4R)-4-methoxypent-1-en-3-one has a molecular weight of 114.14 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxypent-1-en-3-one is sourced from PubChem (CID 126552718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).