9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane

C12H20O2 — CID 14172406

IUPAC9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
SMILESC=CC1CC(C)(C)CC2(C1)OCCO2
InChIInChI=1S/C12H20O2/c1-4-10-7-11(2,3)9-12(8-10)13-5-6-14-12/h4,10H,1,5-9H2,2-3H3
InChIKeyFCLXRQXYNOUJQD-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds1

About 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane

9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane (PubChem CID 14172406) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
PubChem CID14172406
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
SMILESC=CC1CC(C)(C)CC2(C1)OCCO2
InChIInChI=1S/C12H20O2/c1-4-10-7-11(2,3)9-12(8-10)13-5-6-14-12/h4,10H,1,5-9H2,2-3H3
InChIKeyFCLXRQXYNOUJQD-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-ethenyl-1,4-dioxaspiro[4.5]decane
CID 69192706
4-ethenyl-1,1,2,2-tetramethylcyclopentane
CID 143472488
5-ethenyl-3,3-dimethylcyclohexan-1-ol
CID 58534468
8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 130067842
7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 130396664
[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 94037522
3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
CID 163966943
2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde
CID 10910494
8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 11593711
dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
CID 124565083
dimethyl (7S,9S)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
CID 124565082
(1'S,6'R)-1'-methylspiro[1,3-dioxolane-2,3'-bicyclo[4.1.0]heptane]
CID 125482825

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane (CID 14172406) is 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane is C=CC1CC(C)(C)CC2(C1)OCCO2.
What is the InChIKey of 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is FCLXRQXYNOUJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-10-7-11(2,3)9-12(8-10)13-5-6-14-12/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane?
9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 196.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 14172406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).