(4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one

C8H12O5 — CID 58830662

IUPAC(4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one
SMILESC[C@]1(C(O)CO)CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O5/c1-8(5(11)3-9)2-4(10)6(12)7(8)13/h5,9,11-13H,2-3H2,1H3/t5?,8-/m1/s1
InChIKeyOUFGHTWTQDPAEF-XCGJVMPOSA-N
MW188.18 g/mol
LogP-0.35
Rot. Bonds2

About (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one

(4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one (PubChem CID 58830662) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one
PubChem CID58830662
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name(4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one
SMILESC[C@]1(C(O)CO)CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O5/c1-8(5(11)3-9)2-4(10)6(12)7(8)13/h5,9,11-13H,2-3H2,1H3/t5?,8-/m1/s1
InChIKeyOUFGHTWTQDPAEF-XCGJVMPOSA-N
XLogP-0.35
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one (CID 58830662) is (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one is C[C@]1(C(O)CO)CC(=O)C(O)=C1O.
What is the InChIKey of (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one?
The InChIKey is OUFGHTWTQDPAEF-XCGJVMPOSA-N. The full InChI is InChI=1S/C8H12O5/c1-8(5(11)3-9)2-4(10)6(12)7(8)13/h5,9,11-13H,2-3H2,1H3/t5?,8-/m1/s1.
What are the key properties of (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one?
(4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one has a molecular weight of 188.18 g/mol, XLogP of -0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 58830662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).