2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane

C10H18O3 — CID 11816293

IUPAC2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane
SMILESC=CCOCCC1COC(C)(C)O1
InChIInChI=1S/C10H18O3/c1-4-6-11-7-5-9-8-12-10(2,3)13-9/h4,9H,1,5-8H2,2-3H3
InChIKeyUPYCPNFSOMHVNR-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds5

About 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane

2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane (PubChem CID 11816293) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane
PubChem CID11816293
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane
SMILESC=CCOCCC1COC(C)(C)O1
InChIInChI=1S/C10H18O3/c1-4-6-11-7-5-9-8-12-10(2,3)13-9/h4,9H,1,5-8H2,2-3H3
InChIKeyUPYCPNFSOMHVNR-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane (CID 11816293) is 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane is C=CCOCCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane?
The InChIKey is UPYCPNFSOMHVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-11-7-5-9-8-12-10(2,3)13-9/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane?
2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane has a molecular weight of 186.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-prop-2-enoxyethyl)-1,3-dioxolane is sourced from PubChem (CID 11816293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).