2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane

C10H18O3 — CID 89471846

IUPAC2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane
SMILESC=CCOCC1COC(C(C)C)O1
InChIInChI=1S/C10H18O3/c1-4-5-11-6-9-7-12-10(13-9)8(2)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyFGJYZUOGWDGLQW-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.59
Rot. Bonds5

About 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane

2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane (PubChem CID 89471846) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane
PubChem CID89471846
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane
SMILESC=CCOCC1COC(C(C)C)O1
InChIInChI=1S/C10H18O3/c1-4-5-11-6-9-7-12-10(13-9)8(2)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyFGJYZUOGWDGLQW-UHFFFAOYSA-N
XLogP1.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
The IUPAC name of 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane (CID 89471846) is 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane is C=CCOCC1COC(C(C)C)O1.
What is the InChIKey of 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
The InChIKey is FGJYZUOGWDGLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-5-11-6-9-7-12-10(13-9)8(2)3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane has a molecular weight of 186.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(prop-2-enoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 89471846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).