4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane

C11H20O2 — CID 19005248

IUPAC4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1CC(C)C
InChIInChI=1S/C11H20O2/c1-6-9-10(7-8(2)3)13-11(4,5)12-9/h6,8-10H,1,7H2,2-5H3
InChIKeyMIMDHNWKNJCPAR-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds3

About 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane

4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane (PubChem CID 19005248) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
PubChem CID19005248
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
SMILESC=CC1OC(C)(C)OC1CC(C)C
InChIInChI=1S/C11H20O2/c1-6-9-10(7-8(2)3)13-11(4,5)12-9/h6,8-10H,1,7H2,2-5H3
InChIKeyMIMDHNWKNJCPAR-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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-Isobutyl-4-vinyl-1,3-dioxolane
CID 71471386
tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane
CID 16744723
(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-ol
CID 25147325
(4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 49871384
(4r)-2,2-Dimethyl-4-[(2r)-2-methylbut-3-en-1-yl]-1,3-dioxolane
CID 129758168
(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane
CID 134846281
(4S,5R)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-[(2R)-3-methylbut-3-en-2-yl]-1,3-dioxolane
CID 134888535
(4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane
CID 134944172
(4R,5S)-4-ethenyl-5-(2-methylpropyl)-1,3-dioxolan-2-one
CID 134952024
(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane
CID 134960666
(4S)-4-[(2S)-hex-5-en-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 135021066
(4S,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane (CID 19005248) is 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane is C=CC1OC(C)(C)OC1CC(C)C.
What is the InChIKey of 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is MIMDHNWKNJCPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-9-10(7-8(2)3)13-11(4,5)12-9/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane?
4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 19005248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).