4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one

C17H28O2 — CID 79894723

IUPAC4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
SMILESCCC1CCC(=O)C(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H28O2/c1-2-13-5-6-16(18)15(11-13)14-7-10-19-17(12-14)8-3-4-9-17/h13-15H,2-12H2,1H3
InChIKeyKPNGIAUCQYTCOA-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.12
Rot. Bonds2

About 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one

4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one (PubChem CID 79894723) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
PubChem CID79894723
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
SMILESCCC1CCC(=O)C(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H28O2/c1-2-13-5-6-16(18)15(11-13)14-7-10-19-17(12-14)8-3-4-9-17/h13-15H,2-12H2,1H3
InChIKeyKPNGIAUCQYTCOA-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
CID 79900843
2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894496
4-ethyl-2-(oxan-3-yl)cyclohexan-1-one
CID 107135375
4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one
CID 83196687
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
CID 79894647
4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one
CID 79416599
10-ethyl-1-oxaspiro[5.5]undecane
CID 144986649
N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79923972
4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one
CID 79417052
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106780453
[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine
CID 103353008

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one (CID 79894723) is 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one is CCC1CCC(=O)C(C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one?
The InChIKey is KPNGIAUCQYTCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-13-5-6-16(18)15(11-13)14-7-10-19-17(12-14)8-3-4-9-17/h13-15H,2-12H2,1H3.
What are the key properties of 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one?
4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one has a molecular weight of 264.41 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one is sourced from PubChem (CID 79894723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).