2-ethenyl-2-undecoxycyclopentan-1-one

C18H32O2 — CID 102184309

IUPAC2-ethenyl-2-undecoxycyclopentan-1-one
SMILESC=CC1(OCCCCCCCCCCC)CCCC1=O
InChIInChI=1S/C18H32O2/c1-3-5-6-7-8-9-10-11-12-16-20-18(4-2)15-13-14-17(18)19/h4H,2-3,5-16H2,1H3
InChIKeyKEORKYYRORSNEW-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.21
Rot. Bonds12

About 2-ethenyl-2-undecoxycyclopentan-1-one

2-ethenyl-2-undecoxycyclopentan-1-one (PubChem CID 102184309) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-ethenyl-2-undecoxycyclopentan-1-one.

Molecular Properties

Compound Name2-ethenyl-2-undecoxycyclopentan-1-one
PubChem CID102184309
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-ethenyl-2-undecoxycyclopentan-1-one
SMILESC=CC1(OCCCCCCCCCCC)CCCC1=O
InChIInChI=1S/C18H32O2/c1-3-5-6-7-8-9-10-11-12-16-20-18(4-2)15-13-14-17(18)19/h4H,2-3,5-16H2,1H3
InChIKeyKEORKYYRORSNEW-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.21
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

(2R)-2-but-3-enoxy-2-ethenylcyclopentan-1-one
CID 102184295
(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
CID 10487610
(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
CID 10511581
(2R)-2-ethenyl-2-pent-4-enoxycyclopentan-1-one
CID 102184296
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

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-undecoxycyclopentan-1-one?
The IUPAC name of 2-ethenyl-2-undecoxycyclopentan-1-one (CID 102184309) is 2-ethenyl-2-undecoxycyclopentan-1-one.
What is the SMILES notation for 2-ethenyl-2-undecoxycyclopentan-1-one?
The canonical SMILES for 2-ethenyl-2-undecoxycyclopentan-1-one is C=CC1(OCCCCCCCCCCC)CCCC1=O.
What is the InChIKey of 2-ethenyl-2-undecoxycyclopentan-1-one?
The InChIKey is KEORKYYRORSNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-3-5-6-7-8-9-10-11-12-16-20-18(4-2)15-13-14-17(18)19/h4H,2-3,5-16H2,1H3.
What are the key properties of 2-ethenyl-2-undecoxycyclopentan-1-one?
2-ethenyl-2-undecoxycyclopentan-1-one has a molecular weight of 280.45 g/mol, XLogP of 5.21, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-undecoxycyclopentan-1-one is sourced from PubChem (CID 102184309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).