4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane

C10H18O2 — CID 19388287

IUPAC4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESC=CC1COC(C)(CC(C)C)O1
InChIInChI=1S/C10H18O2/c1-5-9-7-11-10(4,12-9)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyLCQGHVRMVSQULG-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

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

4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane (PubChem CID 19388287) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
PubChem CID19388287
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESC=CC1COC(C)(CC(C)C)O1
InChIInChI=1S/C10H18O2/c1-5-9-7-11-10(4,12-9)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyLCQGHVRMVSQULG-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
(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,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605
(4R)-4-ethenyl-2,2,4,5-tetramethyl-1,3-dioxolane
CID 137286752
(4S,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 178325740
(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

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane (CID 19388287) is 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane is C=CC1COC(C)(CC(C)C)O1.
What is the InChIKey of 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is LCQGHVRMVSQULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-9-7-11-10(4,12-9)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane?
4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 19388287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).