3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one

C14H20O2 — CID 79924215

IUPAC3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C14H20O2/c15-13-4-3-11(9-13)12-5-8-16-14(10-12)6-1-2-7-14/h9,12H,1-8,10H2
InChIKeyLLQQHRDJZPXJQR-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.02
Rot. Bonds1

About 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one

3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one (PubChem CID 79924215) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one
PubChem CID79924215
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C14H20O2/c15-13-4-3-11(9-13)12-5-8-16-14(10-12)6-1-2-7-14/h9,12H,1-8,10H2
InChIKeyLLQQHRDJZPXJQR-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one (CID 79924215) is 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one is O=C1C=C(C2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one?
The InChIKey is LLQQHRDJZPXJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-13-4-3-11(9-13)12-5-8-16-14(10-12)6-1-2-7-14/h9,12H,1-8,10H2.
What are the key properties of 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one?
3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxaspiro[4.5]decan-9-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 79924215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).