(4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one

C12H20O2 — CID 14068210

IUPAC(4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one
SMILESCCC[C@H]1C(=O)C=C(OC)[C@@H]1CCC
InChIInChI=1S/C12H20O2/c1-4-6-9-10(7-5-2)12(14-3)8-11(9)13/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyYKNTYAVBHGSLHF-NXEZZACHSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds5

About (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one

(4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one (PubChem CID 14068210) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one
PubChem CID14068210
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one
SMILESCCC[C@H]1C(=O)C=C(OC)[C@@H]1CCC
InChIInChI=1S/C12H20O2/c1-4-6-9-10(7-5-2)12(14-3)8-11(9)13/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyYKNTYAVBHGSLHF-NXEZZACHSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one?
The IUPAC name of (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one (CID 14068210) is (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one is CCC[C@H]1C(=O)C=C(OC)[C@@H]1CCC.
What is the InChIKey of (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one?
The InChIKey is YKNTYAVBHGSLHF-NXEZZACHSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-6-9-10(7-5-2)12(14-3)8-11(9)13/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one?
(4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one is sourced from PubChem (CID 14068210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).