4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one

C14H20O3 — CID 155930758

IUPAC4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one
SMILESO=C1C=CC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H20O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1,3,11-12H,2,4-10H2
InChIKeyDLOYQJJQANQNOQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.45
Rot. Bonds1

About 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one

4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one (PubChem CID 155930758) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one
PubChem CID155930758
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one
SMILESO=C1C=CC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H20O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1,3,11-12H,2,4-10H2
InChIKeyDLOYQJJQANQNOQ-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol;4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
CID 159910413
(4aS,8aS)-1,3,4,4a,8,8a-hexahydronaphthalene-2,7-dione
CID 101092885
spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one
CID 567460
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
4-(1,3-dithian-2-yl)cyclohex-2-en-1-one
CID 12717555
8-[4-(trifluoromethyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
CID 151797013
4-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-1,2,4-triazol-5-one
CID 107410956
8-[4-(methoxymethylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 118678983
9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one
CID 10728572
CID 158702371
CID 158702371
4-[4-(4-propylphenyl)cyclohexyl]cyclohexan-1-one;8-[4-(4-propylphenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 158107589
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-iodopyrazole
CID 134360989

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one (CID 155930758) is 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one is O=C1C=CC(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one?
The InChIKey is DLOYQJJQANQNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1,3,11-12H,2,4-10H2.
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one?
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 155930758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).