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

C17H28O3 — CID 116748384

IUPAC(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCCOC1(C(=O)C2CCOC3(CCC3)C2)CCCCC1
InChIInChI=1S/C17H28O3/c1-2-19-17(10-4-3-5-11-17)15(18)14-7-12-20-16(13-14)8-6-9-16/h14H,2-13H2,1H3
InChIKeyPCKIPSYMPVKXCE-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.64
Rot. Bonds4

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

(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 116748384) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID116748384
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCCOC1(C(=O)C2CCOC3(CCC3)C2)CCCCC1
InChIInChI=1S/C17H28O3/c1-2-19-17(10-4-3-5-11-17)15(18)14-7-12-20-16(13-14)8-6-9-16/h14H,2-13H2,1H3
InChIKeyPCKIPSYMPVKXCE-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(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-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 116748384) is (1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is CCOC1(C(=O)C2CCOC3(CCC3)C2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is PCKIPSYMPVKXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-2-19-17(10-4-3-5-11-17)15(18)14-7-12-20-16(13-14)8-6-9-16/h14H,2-13H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 116748384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).