10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one

C14H22O3 — CID 86759325

IUPAC10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one
SMILESO=C1CCCC(C2CCCCC2)C12OCCO2
InChIInChI=1S/C14H22O3/c15-13-8-4-7-12(11-5-2-1-3-6-11)14(13)16-9-10-17-14/h11-12H,1-10H2
InChIKeyLAAJIZLPNMIIFO-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.68
Rot. Bonds1

About 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one

10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one (PubChem CID 86759325) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one
PubChem CID86759325
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one
SMILESO=C1CCCC(C2CCCCC2)C12OCCO2
InChIInChI=1S/C14H22O3/c15-13-8-4-7-12(11-5-2-1-3-6-11)14(13)16-9-10-17-14/h11-12H,1-10H2
InChIKeyLAAJIZLPNMIIFO-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,4-Dioxa-spiro(4.5)dec-8-yl)-cyclohexanone
CID 810913
1,4-Dioxadispiro(4.2.5^(8).2^(5))pentadecan-11-one
CID 165997398
(R)-1,4-Dioxadispiro[4.0.56.45]pentadecan-7-one
CID 85856331
cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 102107681
1-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134856789
[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone
CID 12990202
3-[3-(2-Methyl-1,3-dioxolan-2-yl)propyl]cyclohexan-1-one
CID 14689320
3-[4-(2,2-Dimethyl-1,3-dioxolan-4-yl)butyl]cyclohexan-1-one
CID 15091677
5-(1,4-Dioxaspiro[4.5]decan-6-yl)pentan-2-one
CID 85762493
1-(1,4-Dioxaspiro[4.5]decan-6-yl)butan-2-one
CID 101850530
8-[2-(4-Oxocyclohexyl)ethyl]-1,4-dioxaspiro[4,5]decane
CID 10236276
4-[trans-4-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexyl]cyclohexanone
CID 19380435

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one?
The IUPAC name of 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one (CID 86759325) is 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one.
What is the SMILES notation for 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one?
The canonical SMILES for 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one is O=C1CCCC(C2CCCCC2)C12OCCO2.
What is the InChIKey of 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one?
The InChIKey is LAAJIZLPNMIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c15-13-8-4-7-12(11-5-2-1-3-6-11)14(13)16-9-10-17-14/h11-12H,1-10H2.
What are the key properties of 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one?
10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one has a molecular weight of 238.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyl-1,4-dioxaspiro[4.5]decan-6-one is sourced from PubChem (CID 86759325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).