(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

C18H30O3 — CID 116747768

IUPAC(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESCCOC1(C(=O)C2CCOC3(CCCCC3)C2)CCCC1
InChIInChI=1S/C18H30O3/c1-2-20-18(11-6-7-12-18)16(19)15-8-13-21-17(14-15)9-4-3-5-10-17/h15H,2-14H2,1H3
InChIKeyKOAGVGXDWVNOGH-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.03
Rot. Bonds4

About (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 116747768) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
PubChem CID116747768
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESCCOC1(C(=O)C2CCOC3(CCCCC3)C2)CCCC1
InChIInChI=1S/C18H30O3/c1-2-20-18(11-6-7-12-18)16(19)15-8-13-21-17(14-15)9-4-3-5-10-17/h15H,2-14H2,1H3
InChIKeyKOAGVGXDWVNOGH-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
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
ethyl 1-oxaspiro[4.5]decane-7-carboxylate
CID 70215305
2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 116575346
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
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

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (CID 116747768) is (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is CCOC1(C(=O)C2CCOC3(CCCCC3)C2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is KOAGVGXDWVNOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-20-18(11-6-7-12-18)16(19)15-8-13-21-17(14-15)9-4-3-5-10-17/h15H,2-14H2,1H3.
What are the key properties of (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 116747768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).