2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane

C11H18O2 — CID 539045

IUPAC2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane
SMILESC=C(C)C1OC(C)(C)OC1C(=C)C
InChIInChI=1S/C11H18O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h9-10H,1,3H2,2,4-6H3
InChIKeyAYNWOOCBLCTFFE-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds2

About 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane

2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane (PubChem CID 539045) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane
PubChem CID539045
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane
SMILESC=C(C)C1OC(C)(C)OC1C(=C)C
InChIInChI=1S/C11H18O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h9-10H,1,3H2,2,4-6H3
InChIKeyAYNWOOCBLCTFFE-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
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

2-(Oct-3-yn-1-yl)-2-(prop-1-en-2-yl)-1,3-dioxolane
CID 24975372
(4S)-2,2-Dimethyl-4-(prop-1-en-2-yl)-1,3-dioxolane
CID 71391888
2-(But-3-yn-1-yl)-2-(prop-1-en-2-yl)-1,3-dioxolane
CID 71324070
(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
CID 135057215
(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
CID 11095259
(4S,5S)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
CID 11830070
2,2-Dimethyl-4-isopropenyl-1,3-dioxolane
CID 13415305
(4S)-2,2-dimethyl-4-(3-methylbut-3-enyl)-1,3-dioxolane
CID 11116493
4-Ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane
CID 13497315
4-Ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
CID 19005248
4-Ethenyl-2-methyl-2-propyl-1,3-dioxolane
CID 19388272
4-Ethenyl-2,2-dipropyl-1,3-dioxolane
CID 19388279

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane (CID 539045) is 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane is C=C(C)C1OC(C)(C)OC1C(=C)C.
What is the InChIKey of 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane?
The InChIKey is AYNWOOCBLCTFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h9-10H,1,3H2,2,4-6H3.
What are the key properties of 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane?
2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane is sourced from PubChem (CID 539045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).