2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane

C14H24O3 — CID 10657692

IUPAC2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane
SMILESC=C1CCOC(CCCC2COC(C)(C)O2)C1
InChIInChI=1S/C14H24O3/c1-11-7-8-15-12(9-11)5-4-6-13-10-16-14(2,3)17-13/h12-13H,1,4-10H2,2-3H3
InChIKeyKAOIQSIRSNXPIK-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.04
Rot. Bonds4

About 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane

2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane (PubChem CID 10657692) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane.

Molecular Properties

Compound Name2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane
PubChem CID10657692
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane
SMILESC=C1CCOC(CCCC2COC(C)(C)O2)C1
InChIInChI=1S/C14H24O3/c1-11-7-8-15-12(9-11)5-4-6-13-10-16-14(2,3)17-13/h12-13H,1,4-10H2,2-3H3
InChIKeyKAOIQSIRSNXPIK-UHFFFAOYSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.04
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

2-Methyl-2-(6-methylhept-6-enyl)-1,3-dioxolane
CID 11970498
(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane
CID 134986577
8-Ethyl-10-prop-2-enyl-1,4,9-trioxaspiro[4.5]decane
CID 57928141
(5S)-2,2-dimethyl-4-(2-methylprop-2-enyl)-5-propyl-1,3-dioxolane
CID 70658109
2-Prop-2-enyl-1,10-dioxaspiro[4.5]decane
CID 118105006
(2S,5S)-2-methyl-5-(7-methyloct-7-enoxymethyl)oxolane
CID 166779909
(2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane
CID 10587070
(3aR,10aR)-2,2-dimethyl-5-methylidene-3a,4,6,7,8,9,10,10a-octahydrocyclonona[d][1,3]dioxol-7-ol
CID 10868006
9-Methylidene-1,6-dioxaspiro[4.5]decane
CID 11051875
(5S)-9-methylidene-1,6-dioxaspiro[4.5]decane
CID 15162519
(6S)-4-methylidene-1,7-dioxaspiro[5.5]undecane
CID 15162520
4-Methylene-1,7-dioxaspiro[5.5]undecane
CID 15162521

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane?
The IUPAC name of 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane (CID 10657692) is 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane.
What is the SMILES notation for 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane?
The canonical SMILES for 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane is C=C1CCOC(CCCC2COC(C)(C)O2)C1.
What is the InChIKey of 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane?
The InChIKey is KAOIQSIRSNXPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11-7-8-15-12(9-11)5-4-6-13-10-16-14(2,3)17-13/h12-13H,1,4-10H2,2-3H3.
What are the key properties of 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane?
2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane has a molecular weight of 240.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane is sourced from PubChem (CID 10657692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).