(4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one

C8H12O3 — CID 146684244

IUPAC(4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one
SMILESC/C=C/[C@@]1(O)CCOC(=O)C1
InChIInChI=1S/C8H12O3/c1-2-3-8(10)4-5-11-7(9)6-8/h2-3,10H,4-6H2,1H3/b3-2+/t8-/m1/s1
InChIKeyNRANSZCJNFLBET-UFUPEUMYSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds1

About (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one

(4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one (PubChem CID 146684244) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one
PubChem CID146684244
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one
SMILESC/C=C/[C@@]1(O)CCOC(=O)C1
InChIInChI=1S/C8H12O3/c1-2-3-8(10)4-5-11-7(9)6-8/h2-3,10H,4-6H2,1H3/b3-2+/t8-/m1/s1
InChIKeyNRANSZCJNFLBET-UFUPEUMYSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Harzialactone B
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Terreinlactone A1
CID 146684243
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2-(6-Ethyl-2,3-dihydropyran-6-yl)acetic acid
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Methyl 2-hydroxycyclohex-3-ene-1-carboxylate
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Ethyl 2-hydroxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 21430990
tert-butyl (E)-3-hydroxy-2-prop-2-enylhex-4-enoate
CID 23372214
Tert-butyl 3-hydroxy-2-prop-2-enylhex-4-enoate
CID 53982809
Ethyl 2-hydroxycyclohex-3-ene-1-carboxylate
CID 57215056
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CID 59168922

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one?
The IUPAC name of (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one (CID 146684244) is (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one?
The canonical SMILES for (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one is C/C=C/[C@@]1(O)CCOC(=O)C1.
What is the InChIKey of (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one?
The InChIKey is NRANSZCJNFLBET-UFUPEUMYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-3-8(10)4-5-11-7(9)6-8/h2-3,10H,4-6H2,1H3/b3-2+/t8-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one?
(4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4-[(E)-prop-1-enyl]oxan-2-one is sourced from PubChem (CID 146684244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).