(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one

C12H18O2 — CID 102184296

IUPAC(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one
SMILESC=CCCCO[C@@]1(C=C)CCCC1=O
InChIInChI=1S/C12H18O2/c1-3-5-6-10-14-12(4-2)9-7-8-11(12)13/h3-4H,1-2,5-10H2/t12-/m0/s1
InChIKeyLKCITOWRBRZJJN-LBPRGKRZSA-N
MW194.27 g/mol
LogP2.65
Rot. Bonds6

About (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one

(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one (PubChem CID 102184296) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one
PubChem CID102184296
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one
SMILESC=CCCCO[C@@]1(C=C)CCCC1=O
InChIInChI=1S/C12H18O2/c1-3-5-6-10-14-12(4-2)9-7-8-11(12)13/h3-4H,1-2,5-10H2/t12-/m0/s1
InChIKeyLKCITOWRBRZJJN-LBPRGKRZSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.65
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
(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184295
(5S)-1-oxaspiro[4.4]non-3-en-9-one
CID 15891652
1-Oxaspiro[4.4]non-3-en-9-one
CID 15891653
(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
2-Ethenyl-2-pent-4-enoxycyclopentan-1-one
CID 102184311
2-Ethenyl-2-pent-3-ynoxycyclopentan-1-one
CID 102184312
1-(1-Ethoxycyclopentyl)but-3-en-1-one
CID 116747683

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one?
The IUPAC name of (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one (CID 102184296) is (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one.
What is the SMILES notation for (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one?
The canonical SMILES for (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one is C=CCCCO[C@@]1(C=C)CCCC1=O.
What is the InChIKey of (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one?
The InChIKey is LKCITOWRBRZJJN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-5-6-10-14-12(4-2)9-7-8-11(12)13/h3-4H,1-2,5-10H2/t12-/m0/s1.
What are the key properties of (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one?
(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one is sourced from PubChem (CID 102184296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).