4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane

C18H32O3 — CID 66879550

IUPAC4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane
SMILESC=CCC1(CC=C)OCC(COCC(CC)CCCC)O1
InChIInChI=1S/C18H32O3/c1-5-9-10-16(8-4)13-19-14-17-15-20-18(21-17,11-6-2)12-7-3/h6-7,16-17H,2-3,5,8-15H2,1,4H3
InChIKeySYICLFSQGUORMC-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.48
Rot. Bonds12

About 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane

4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane (PubChem CID 66879550) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane
PubChem CID66879550
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane
SMILESC=CCC1(CC=C)OCC(COCC(CC)CCCC)O1
InChIInChI=1S/C18H32O3/c1-5-9-10-16(8-4)13-19-14-17-15-20-18(21-17,11-6-2)12-7-3/h6-7,16-17H,2-3,5,8-15H2,1,4H3
InChIKeySYICLFSQGUORMC-UHFFFAOYSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane?
The IUPAC name of 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane (CID 66879550) is 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane.
What is the SMILES notation for 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane?
The canonical SMILES for 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane is C=CCC1(CC=C)OCC(COCC(CC)CCCC)O1.
What is the InChIKey of 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane?
The InChIKey is SYICLFSQGUORMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-5-9-10-16(8-4)13-19-14-17-15-20-18(21-17,11-6-2)12-7-3/h6-7,16-17H,2-3,5,8-15H2,1,4H3.
What are the key properties of 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane?
4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane has a molecular weight of 296.45 g/mol, XLogP of 4.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxymethyl)-2,2-bis(prop-2-enyl)-1,3-dioxolane is sourced from PubChem (CID 66879550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).