3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one

C14H22O3 — CID 79924212

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H22O3/c1-10-12(2-3-13(10)15)11-4-6-17-14(8-11)5-7-16-9-14/h10-12H,2-9H2,1H3
InChIKeyXNQJAOIOYLVAHV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.19
Rot. Bonds1

About 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one

3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one (PubChem CID 79924212) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one
PubChem CID79924212
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H22O3/c1-10-12(2-3-13(10)15)11-4-6-17-14(8-11)5-7-16-9-14/h10-12H,2-9H2,1H3
InChIKeyXNQJAOIOYLVAHV-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-chloro-2-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
CID 79923916
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
CID 79919559
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid
CID 112574004
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780788
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
CID 79922466

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one (CID 79924212) is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one is CC1C(=O)CCC1C1CCOC2(CCOC2)C1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one?
The InChIKey is XNQJAOIOYLVAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10-12(2-3-13(10)15)11-4-6-17-14(8-11)5-7-16-9-14/h10-12H,2-9H2,1H3.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one?
3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one has a molecular weight of 238.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 79924212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).