4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane

C10H18O3 — CID 123450365

IUPAC4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane
SMILESC=CC(C)(OC)C1COC(C)(C)O1
InChIInChI=1S/C10H18O3/c1-6-10(4,11-5)8-7-12-9(2,3)13-8/h6,8H,1,7H2,2-5H3
InChIKeyJLXZYWZEAMFVNI-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds3

About 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane

4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 123450365) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane
PubChem CID123450365
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane
SMILESC=CC(C)(OC)C1COC(C)(C)O1
InChIInChI=1S/C10H18O3/c1-6-10(4,11-5)8-7-12-9(2,3)13-8/h6,8H,1,7H2,2-5H3
InChIKeyJLXZYWZEAMFVNI-UHFFFAOYSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
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-Isobutyl-4-vinyl-1,3-dioxolane
CID 71471386
1,3-Dioxolane, 2,2-dimethyl-4,5-divinyl-
CID 538638
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
(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,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
4-Ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane
CID 13497315
4,5-Bis(ethenyl)-4-(methoxymethyl)-1,3-dioxolan-2-one
CID 18353925
2-Tert-butyl-4-ethenyl-2-methyl-1,3-dioxolane
CID 19388270
4-Ethenyl-2-methyl-2-propyl-1,3-dioxolane
CID 19388272

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane (CID 123450365) is 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane is C=CC(C)(OC)C1COC(C)(C)O1.
What is the InChIKey of 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is JLXZYWZEAMFVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-10(4,11-5)8-7-12-9(2,3)13-8/h6,8H,1,7H2,2-5H3.
What are the key properties of 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane?
4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 186.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 123450365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).