3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane

C17H28O4 — CID 10732718

IUPAC3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane
SMILESC=CCOC1(C(=C)OCC)CCC2(CC1)OCCCCO2
InChIInChI=1S/C17H28O4/c1-4-12-19-16(15(3)18-5-2)8-10-17(11-9-16)20-13-6-7-14-21-17/h4H,1,3,5-14H2,2H3
InChIKeyGFTXRYDHWCHSSS-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.58
Rot. Bonds6

About 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane

3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane (PubChem CID 10732718) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane
PubChem CID10732718
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane
SMILESC=CCOC1(C(=C)OCC)CCC2(CC1)OCCCCO2
InChIInChI=1S/C17H28O4/c1-4-12-19-16(15(3)18-5-2)8-10-17(11-9-16)20-13-6-7-14-21-17/h4H,1,3,5-14H2,2H3
InChIKeyGFTXRYDHWCHSSS-UHFFFAOYSA-N
XLogP3.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-ethenyl-7,12-dioxaspiro[5.6]dodecan-3-yl)acetate
CID 16680748
ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 129073640
4,9-dioxaspiro[2.6]nonane
CID 68651979
ethyl 8-methyl-1,4-dioxaspiro[4.51]hexapentacontane-8-carboxylate
CID 139462864
ethyl (2S)-2-formyloxane-2-carboxylate
CID 129408231
methyl 1-prop-2-enoxycyclohexane-1-carboxylate
CID 130466447
diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate
CID 134998609
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978481
ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 139451395
ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutanoate
CID 66038836
1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one
CID 102374807

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane?
The IUPAC name of 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane (CID 10732718) is 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane.
What is the SMILES notation for 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane?
The canonical SMILES for 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane is C=CCOC1(C(=C)OCC)CCC2(CC1)OCCCCO2.
What is the InChIKey of 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane?
The InChIKey is GFTXRYDHWCHSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-4-12-19-16(15(3)18-5-2)8-10-17(11-9-16)20-13-6-7-14-21-17/h4H,1,3,5-14H2,2H3.
What are the key properties of 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane?
3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane has a molecular weight of 296.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane is sourced from PubChem (CID 10732718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).