(4R)-4-prop-2-enyl-3,4-dihydropyran-2-one

C8H10O2 — CID 134966099

IUPAC(4R)-4-prop-2-enyl-3,4-dihydropyran-2-one
SMILESC=CC[C@H]1C=COC(=O)C1
InChIInChI=1S/C8H10O2/c1-2-3-7-4-5-10-8(9)6-7/h2,4-5,7H,1,3,6H2/t7-/m0/s1
InChIKeyUXXIMYZSDUUDEY-ZETCQYMHSA-N
MW138.17 g/mol
LogP1.64
Rot. Bonds2

About (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one

(4R)-4-prop-2-enyl-3,4-dihydropyran-2-one (PubChem CID 134966099) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name(4R)-4-prop-2-enyl-3,4-dihydropyran-2-one
PubChem CID134966099
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(4R)-4-prop-2-enyl-3,4-dihydropyran-2-one
SMILESC=CC[C@H]1C=COC(=O)C1
InChIInChI=1S/C8H10O2/c1-2-3-7-4-5-10-8(9)6-7/h2,4-5,7H,1,3,6H2/t7-/m0/s1
InChIKeyUXXIMYZSDUUDEY-ZETCQYMHSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hex-1-en-1-yl 3-methylbutanoate
CID 71406770
5-Hexenoic acid, 3-methyl-, ethyl ester
CID 10866583
Methyl-dihydro-(2h)-pyran-2-one
CID 12346978
Methyl 3-methylhex-5-enoate
CID 12589767
methyl (3R)-3-methyl-5-hexenoate
CID 25023467
Propyloxolone
CID 69733327
Hexenyl 2-methylbutanoate
CID 76552389
(R)-4-vinyltetrahydro-2H-pyran-2-one
CID 101412797
2H-Pyran-2-one, 4-ethenyltetrahydro-
CID 543133
4-Prop-2-enyloxan-2-one
CID 10558704
But-1-en-1-yl-4-methylpentanoate
CID 538659
(4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one
CID 102448097

Frequently Asked Questions

What is the IUPAC name of (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one?
The IUPAC name of (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one (CID 134966099) is (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one.
What is the SMILES notation for (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one?
The canonical SMILES for (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one is C=CC[C@H]1C=COC(=O)C1.
What is the InChIKey of (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one?
The InChIKey is UXXIMYZSDUUDEY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-7-4-5-10-8(9)6-7/h2,4-5,7H,1,3,6H2/t7-/m0/s1.
What are the key properties of (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one?
(4R)-4-prop-2-enyl-3,4-dihydropyran-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-prop-2-enyl-3,4-dihydropyran-2-one is sourced from PubChem (CID 134966099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).