8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one

C20H34O3 — CID 123882312

IUPAC8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one
SMILESC=CC(CCC(=O)CCC(C)(C)C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C20H34O3/c1-5-16(6-7-18(21)10-11-19(2,3)4)17-8-12-20(13-9-17)22-14-15-23-20/h5,16-17H,1,6-15H2,2-4H3
InChIKeyRUZNDNJUUWOUGG-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.90
Rot. Bonds7

About 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one

8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one (PubChem CID 123882312) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one.

Molecular Properties

Compound Name8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one
PubChem CID123882312
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one
SMILESC=CC(CCC(=O)CCC(C)(C)C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C20H34O3/c1-5-16(6-7-18(21)10-11-19(2,3)4)17-8-12-20(13-9-17)22-14-15-23-20/h5,16-17H,1,6-15H2,2-4H3
InChIKeyRUZNDNJUUWOUGG-UHFFFAOYSA-N
XLogP4.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Methyl-7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
CID 11672931
7-Prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
CID 10878069
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-3-en-1-one
CID 101140095
trans-(2R,3R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-2-prop-2-enylcyclohexan-1-one
CID 10955618
2-[2-Methyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-1-enylidene]-1-(1-prop-2-enylcyclohexyl)hexan-1-one
CID 134977641
cis-(2R,3R)-3-ethenyl-2-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 134980927
2-(7-Ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-enal
CID 135045523
1,1,1-Trifluoro-3-(8-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
CID 158179431
1-(8-Vinyl-1,4-dioxaspiro[4.5]dec-8-yl)acetone
CID 11053303
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one
CID 101140096
(7R)-7-methyl-7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
CID 11229572
5-(1,4-Dioxaspiro[4.5]decan-8-yl)hepta-1,6-dien-3-one
CID 58562831

Frequently Asked Questions

What is the IUPAC name of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one?
The IUPAC name of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one (CID 123882312) is 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one.
What is the SMILES notation for 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one?
The canonical SMILES for 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one is C=CC(CCC(=O)CCC(C)(C)C)C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one?
The InChIKey is RUZNDNJUUWOUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-5-16(6-7-18(21)10-11-19(2,3)4)17-8-12-20(13-9-17)22-14-15-23-20/h5,16-17H,1,6-15H2,2-4H3.
What are the key properties of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one?
8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one has a molecular weight of 322.49 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethyldec-9-en-5-one is sourced from PubChem (CID 123882312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).