(2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one

C11H16O3 — CID 155933095

IUPAC(2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one
SMILESO=C1CCC[C@@H]1[C@@]1(O)CC=CC[C@@H]1O
InChIInChI=1S/C11H16O3/c12-9-5-3-4-8(9)11(14)7-2-1-6-10(11)13/h1-2,8,10,13-14H,3-7H2/t8-,10-,11-/m0/s1
InChIKeyQPQGGHYFNQMBQV-LSJOCFKGSA-N
MW196.25 g/mol
LogP0.80
Rot. Bonds1

About (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one

(2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one (PubChem CID 155933095) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one
PubChem CID155933095
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one
SMILESO=C1CCC[C@@H]1[C@@]1(O)CC=CC[C@@H]1O
InChIInChI=1S/C11H16O3/c12-9-5-3-4-8(9)11(14)7-2-1-6-10(11)13/h1-2,8,10,13-14H,3-7H2/t8-,10-,11-/m0/s1
InChIKeyQPQGGHYFNQMBQV-LSJOCFKGSA-N
XLogP0.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one?
The IUPAC name of (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one (CID 155933095) is (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one.
What is the SMILES notation for (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one?
The canonical SMILES for (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one is O=C1CCC[C@@H]1[C@@]1(O)CC=CC[C@@H]1O.
What is the InChIKey of (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one?
The InChIKey is QPQGGHYFNQMBQV-LSJOCFKGSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-5-3-4-8(9)11(14)7-2-1-6-10(11)13/h1-2,8,10,13-14H,3-7H2/t8-,10-,11-/m0/s1.
What are the key properties of (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one?
(2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one has a molecular weight of 196.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,6S)-1,6-dihydroxycyclohex-3-en-1-yl]cyclopentan-1-one is sourced from PubChem (CID 155933095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).