(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C16H26O3 — CID 116747845

IUPAC(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCCOC1(C(=O)C2CCOC3(CCC3)C2)CCCC1
InChIInChI=1S/C16H26O3/c1-2-18-16(9-3-4-10-16)14(17)13-6-11-19-15(12-13)7-5-8-15/h13H,2-12H2,1H3
InChIKeyCJOLLLOEYAZMAE-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.25
Rot. Bonds4

About (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 116747845) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID116747845
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCCOC1(C(=O)C2CCOC3(CCC3)C2)CCCC1
InChIInChI=1S/C16H26O3/c1-2-18-16(9-3-4-10-16)14(17)13-6-11-19-15(12-13)7-5-8-15/h13H,2-12H2,1H3
InChIKeyCJOLLLOEYAZMAE-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 105119058
2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116746985
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 103446684
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
2-methoxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116746779
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

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 116747845) is (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is CCOC1(C(=O)C2CCOC3(CCC3)C2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is CJOLLLOEYAZMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-18-16(9-3-4-10-16)14(17)13-6-11-19-15(12-13)7-5-8-15/h13H,2-12H2,1H3.
What are the key properties of (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 116747845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).