2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane

C17H28O2 — CID 15039104

IUPAC2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane
SMILESC=CC1(C=C2CCCCCCC2)OCC(C)(C)CO1
InChIInChI=1S/C17H28O2/c1-4-17(18-13-16(2,3)14-19-17)12-15-10-8-6-5-7-9-11-15/h4,12H,1,5-11,13-14H2,2-3H3
InChIKeyKVMPEYBXXYIUFX-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.61
Rot. Bonds2

About 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane

2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane (PubChem CID 15039104) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane
PubChem CID15039104
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane
SMILESC=CC1(C=C2CCCCCCC2)OCC(C)(C)CO1
InChIInChI=1S/C17H28O2/c1-4-17(18-13-16(2,3)14-19-17)12-15-10-8-6-5-7-9-11-15/h4,12H,1,5-11,13-14H2,2-3H3
InChIKeyKVMPEYBXXYIUFX-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.61
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

4,8,8-trimethyl-4-prop-2-enyl-6,10-dioxaspiro[4.5]decan-3-one
CID 11053710
3,3-dimethyl-1,5-dioxacyclohexadecane-6,16-dione
CID 70605767
(1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane
CID 71352495
2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
CID 156792165
1-cyclohexylidene-5-methylhex-5-en-2-one
CID 103457861
[(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octan-2-yl]-trimethylstannane
CID 11405224
2,5,5-trimethyl-2-pent-4-enyl-1,3-dioxane
CID 55275489
2,5,5-trimethyl-1,3-dioxan-2-ol
CID 71420298
methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate
CID 102007340
3,3-dimethyl-9-[2,3,4-tris(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ylidene)cyclobutylidene]-1,5-dioxaspiro[5.5]undecane
CID 134981973
(2R)-2-ethenyl-2-methyl-3-methylideneoxolane
CID 163379901
3-cyclohexylideneprop-1-ynyl-ethenyl-dimethylsilane
CID 101005250

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane (CID 15039104) is 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane is C=CC1(C=C2CCCCCCC2)OCC(C)(C)CO1.
What is the InChIKey of 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane?
The InChIKey is KVMPEYBXXYIUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-4-17(18-13-16(2,3)14-19-17)12-15-10-8-6-5-7-9-11-15/h4,12H,1,5-11,13-14H2,2-3H3.
What are the key properties of 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane?
2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane has a molecular weight of 264.41 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylidenemethyl)-2-ethenyl-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 15039104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).