bis(2-prop-1-en-2-yloxan-2-yl) carbonate

C17H26O5 — CID 139919530

IUPACbis(2-prop-1-en-2-yloxan-2-yl) carbonate
SMILESC=C(C)C1(OC(=O)OC2(C(=C)C)CCCCO2)CCCCO1
InChIInChI=1S/C17H26O5/c1-13(2)16(9-5-7-11-19-16)21-15(18)22-17(14(3)4)10-6-8-12-20-17/h1,3,5-12H2,2,4H3
InChIKeyWVZZNQIXICGUML-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.09
Rot. Bonds4

About bis(2-prop-1-en-2-yloxan-2-yl) carbonate

bis(2-prop-1-en-2-yloxan-2-yl) carbonate (PubChem CID 139919530) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is bis(2-prop-1-en-2-yloxan-2-yl) carbonate.

Molecular Properties

Compound Namebis(2-prop-1-en-2-yloxan-2-yl) carbonate
PubChem CID139919530
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Namebis(2-prop-1-en-2-yloxan-2-yl) carbonate
SMILESC=C(C)C1(OC(=O)OC2(C(=C)C)CCCCO2)CCCCO1
InChIInChI=1S/C17H26O5/c1-13(2)16(9-5-7-11-19-16)21-15(18)22-17(14(3)4)10-6-8-12-20-17/h1,3,5-12H2,2,4H3
InChIKeyWVZZNQIXICGUML-UHFFFAOYSA-N
XLogP4.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(2-prop-1-en-2-yloxan-2-yl) carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-prop-1-en-2-yloxan-2-yl) carbonate?
The IUPAC name of bis(2-prop-1-en-2-yloxan-2-yl) carbonate (CID 139919530) is bis(2-prop-1-en-2-yloxan-2-yl) carbonate.
What is the SMILES notation for bis(2-prop-1-en-2-yloxan-2-yl) carbonate?
The canonical SMILES for bis(2-prop-1-en-2-yloxan-2-yl) carbonate is C=C(C)C1(OC(=O)OC2(C(=C)C)CCCCO2)CCCCO1.
What is the InChIKey of bis(2-prop-1-en-2-yloxan-2-yl) carbonate?
The InChIKey is WVZZNQIXICGUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c1-13(2)16(9-5-7-11-19-16)21-15(18)22-17(14(3)4)10-6-8-12-20-17/h1,3,5-12H2,2,4H3.
What are the key properties of bis(2-prop-1-en-2-yloxan-2-yl) carbonate?
bis(2-prop-1-en-2-yloxan-2-yl) carbonate has a molecular weight of 310.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-prop-1-en-2-yloxan-2-yl) carbonate is sourced from PubChem (CID 139919530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).