(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one

C11H16O2 — CID 102184295

IUPAC(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one
SMILESC=CCCO[C@@]1(C=C)CCCC1=O
InChIInChI=1S/C11H16O2/c1-3-5-9-13-11(4-2)8-6-7-10(11)12/h3-4H,1-2,5-9H2/t11-/m0/s1
InChIKeyZOCPHTXEVXSUDJ-NSHDSACASA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds5

About (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one

(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one (PubChem CID 102184295) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one
PubChem CID102184295
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one
SMILESC=CCCO[C@@]1(C=C)CCCC1=O
InChIInChI=1S/C11H16O2/c1-3-5-9-13-11(4-2)8-6-7-10(11)12/h3-4H,1-2,5-9H2/t11-/m0/s1
InChIKeyZOCPHTXEVXSUDJ-NSHDSACASA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4-Hexafluoro-5-prop-2-enoxy-5-prop-2-enylcyclopentan-1-one
CID 102259080
(5R)-1-oxaspiro[4.4]non-3-en-9-one
CID 101093124
4-Methyl-4-prop-2-enoxynona-1,8-dien-5-one
CID 10703591
(5S)-1-oxaspiro[4.4]non-3-en-9-one
CID 15891652
1-Oxaspiro[4.4]non-3-en-9-one
CID 15891653
(4R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-one
CID 101079957
(4S)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-one
CID 101079958
(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one
CID 102184296
(5R)-6-oxaspiro[4.5]dec-9-en-4-one
CID 102184297
(5R)-6-oxaspiro[4.6]undec-10-en-4-one
CID 102184298
2-Ethenyl-2-undecoxycyclopentan-1-one
CID 102184309
2-But-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one?
The IUPAC name of (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one (CID 102184295) is (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one.
What is the SMILES notation for (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one?
The canonical SMILES for (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one is C=CCCO[C@@]1(C=C)CCCC1=O.
What is the InChIKey of (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one?
The InChIKey is ZOCPHTXEVXSUDJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O2/c1-3-5-9-13-11(4-2)8-6-7-10(11)12/h3-4H,1-2,5-9H2/t11-/m0/s1.
What are the key properties of (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one?
(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one is sourced from PubChem (CID 102184295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).