cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

C15H22O3 — CID 103448024

IUPACcyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1=CCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H22O3/c16-14(12-3-1-2-4-12)13-5-8-18-15(11-13)6-9-17-10-7-15/h3,13H,1-2,4-11H2
InChIKeyYWDIBJQUUHPKPY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.64
Rot. Bonds2

About cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 103448024) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
PubChem CID103448024
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namecyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1=CCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H22O3/c16-14(12-3-1-2-4-12)13-5-8-18-15(11-13)6-9-17-10-7-15/h3,13H,1-2,4-11H2
InChIKeyYWDIBJQUUHPKPY-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (CID 103448024) is cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is O=C(C1=CCCC1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is YWDIBJQUUHPKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c16-14(12-3-1-2-4-12)13-5-8-18-15(11-13)6-9-17-10-7-15/h3,13H,1-2,4-11H2.
What are the key properties of cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 103448024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).