(4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one

C7H10O4 — CID 14566496

IUPAC(4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one
SMILESCOC[C@]1(O)C(=O)C=C[C@@H]1O
InChIInChI=1S/C7H10O4/c1-11-4-7(10)5(8)2-3-6(7)9/h2-3,5,8,10H,4H2,1H3/t5-,7+/m0/s1
InChIKeyBPEFTTIKHLZGIU-CAHLUQPWSA-N
MW158.15 g/mol
LogP-1.14
Rot. Bonds2

About (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one

(4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one (PubChem CID 14566496) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one
PubChem CID14566496
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one
SMILESCOC[C@]1(O)C(=O)C=C[C@@H]1O
InChIInChI=1S/C7H10O4/c1-11-4-7(10)5(8)2-3-6(7)9/h2-3,5,8,10H,4H2,1H3/t5-,7+/m0/s1
InChIKeyBPEFTTIKHLZGIU-CAHLUQPWSA-N
XLogP-1.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one (CID 14566496) is (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one is COC[C@]1(O)C(=O)C=C[C@@H]1O.
What is the InChIKey of (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one?
The InChIKey is BPEFTTIKHLZGIU-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H10O4/c1-11-4-7(10)5(8)2-3-6(7)9/h2-3,5,8,10H,4H2,1H3/t5-,7+/m0/s1.
What are the key properties of (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one?
(4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one has a molecular weight of 158.15 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dihydroxy-5-(methoxymethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 14566496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).