(4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one

C10H14O3 — CID 12838011

IUPAC(4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one
SMILESO=C1C=C[C@H](OC2CCCCO2)C1
InChIInChI=1S/C10H14O3/c11-8-4-5-9(7-8)13-10-3-1-2-6-12-10/h4-5,9-10H,1-3,6-7H2/t9-,10?/m0/s1
InChIKeyKNDDEJNSZWCUJL-RGURZIINSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds2

About (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one

(4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one (PubChem CID 12838011) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one
PubChem CID12838011
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one
SMILESO=C1C=C[C@H](OC2CCCCO2)C1
InChIInChI=1S/C10H14O3/c11-8-4-5-9(7-8)13-10-3-1-2-6-12-10/h4-5,9-10H,1-3,6-7H2/t9-,10?/m0/s1
InChIKeyKNDDEJNSZWCUJL-RGURZIINSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one (CID 12838011) is (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one is O=C1C=C[C@H](OC2CCCCO2)C1.
What is the InChIKey of (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
The InChIKey is KNDDEJNSZWCUJL-RGURZIINSA-N. The full InChI is InChI=1S/C10H14O3/c11-8-4-5-9(7-8)13-10-3-1-2-6-12-10/h4-5,9-10H,1-3,6-7H2/t9-,10?/m0/s1.
What are the key properties of (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
(4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(oxan-2-yloxy)cyclopent-2-en-1-one is sourced from PubChem (CID 12838011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).