(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C15H24O3 — CID 114106570

IUPAC(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCCC1OCCC1C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H24O3/c1-2-13-12(5-8-17-13)14(16)11-4-9-18-15(10-11)6-3-7-15/h11-13H,2-10H2,1H3
InChIKeyDGTOHMADDOHKJS-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.72
Rot. Bonds3

About (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 114106570) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID114106570
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCCC1OCCC1C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H24O3/c1-2-13-12(5-8-17-13)14(16)11-4-9-18-15(10-11)6-3-7-15/h11-13H,2-10H2,1H3
InChIKeyDGTOHMADDOHKJS-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787700
(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114215606
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
(3-ethyl-1,4-dithian-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115385923
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)prop-2-en-1-one
CID 103446328
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 114106574

Frequently Asked Questions

What is the IUPAC name of (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 114106570) is (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is CCC1OCCC1C(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is DGTOHMADDOHKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-13-12(5-8-17-13)14(16)11-4-9-18-15(10-11)6-3-7-15/h11-13H,2-10H2,1H3.
What are the key properties of (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 252.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 114106570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).