(2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one

C10H14O3 — CID 163005804

IUPAC(2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one
SMILESCCC[C@@H]1C=C(/C=C/CO)C(=O)O1
InChIInChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3,5,7,9,11H,2,4,6H2,1H3/b5-3+/t9-/m1/s1
InChIKeyWWJYPRXNKYXREE-HYYFJVDXSA-N
MW182.22 g/mol
LogP1.19
Rot. Bonds4

About (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one

(2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one (PubChem CID 163005804) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one
PubChem CID163005804
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one
SMILESCCC[C@@H]1C=C(/C=C/CO)C(=O)O1
InChIInChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3,5,7,9,11H,2,4,6H2,1H3/b5-3+/t9-/m1/s1
InChIKeyWWJYPRXNKYXREE-HYYFJVDXSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Appenolide C
CID 6444274
Modiolide B
CID 11745259
3-[(E)-3-hydroxybut-1-enyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
CID 86573697
Menisdaurilide
CID 155054
Lissoclinolide
CID 5472800
Npc161706
CID 11241196
Harzianolide
CID 15719532
Tricladolide A
CID 11593996
Bombardolide D
CID 10375070
(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
CID 11298065
Aquilegiolide
CID 185347
2(6H)-benzofuranone, 7,7a-dihydro-6-hydroxy-, (6R,7aR)-
CID 639165

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one?
The IUPAC name of (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one (CID 163005804) is (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one is CCC[C@@H]1C=C(/C=C/CO)C(=O)O1.
What is the InChIKey of (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one?
The InChIKey is WWJYPRXNKYXREE-HYYFJVDXSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3,5,7,9,11H,2,4,6H2,1H3/b5-3+/t9-/m1/s1.
What are the key properties of (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one?
(2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(E)-3-hydroxyprop-1-enyl]-2-propyl-2H-furan-5-one is sourced from PubChem (CID 163005804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).