8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol

C13H22O3 — CID 177406544

IUPAC8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol
SMILESC=CC1CC(O)CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C13H22O3/c1-4-10-5-11(14)7-13(6-10)8-15-12(2,3)16-9-13/h4,10-11,14H,1,5-9H2,2-3H3
InChIKeyFYUHWMSSKOILLH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.10
Rot. Bonds1

About 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol

8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol (PubChem CID 177406544) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol
PubChem CID177406544
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol
SMILESC=CC1CC(O)CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C13H22O3/c1-4-10-5-11(14)7-13(6-10)8-15-12(2,3)16-9-13/h4,10-11,14H,1,5-9H2,2-3H3
InChIKeyFYUHWMSSKOILLH-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethenyl-3,3-dimethylcyclohexan-1-ol
CID 58534468
2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
4-ethenyl-1,1,2,2-tetramethylcyclopentane
CID 143472488
cis-(1S,3R)-3-ethenylcyclohexan-1-ol
CID 15329925
CID 154720908
CID 154720908
(4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
CID 11335047
9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
CID 14172406
(4R,5S,6S,7R)-4-ethenyl-6-hydroxy-3,3,5-trimethylspiro[bicyclo[3.2.1]octane-7,2'-oxirane]-2-one
CID 122368409
[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190097
[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
CID 11381295
3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane
CID 82655471
2-ethenylcyclopropan-1-ol
CID 54500145

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol?
The IUPAC name of 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol (CID 177406544) is 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol.
What is the SMILES notation for 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol?
The canonical SMILES for 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol is C=CC1CC(O)CC2(COC(C)(C)OC2)C1.
What is the InChIKey of 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol?
The InChIKey is FYUHWMSSKOILLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-4-10-5-11(14)7-13(6-10)8-15-12(2,3)16-9-13/h4,10-11,14H,1,5-9H2,2-3H3.
What are the key properties of 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol?
8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol has a molecular weight of 226.32 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 177406544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).