bis(2-methylpent-2-enyl) carbonate

C13H22O3 — CID 57061938

IUPACbis(2-methylpent-2-enyl) carbonate
SMILESCCC=C(C)COC(=O)OCC(C)=CCC
InChIInChI=1S/C13H22O3/c1-5-7-11(3)9-15-13(14)16-10-12(4)8-6-2/h7-8H,5-6,9-10H2,1-4H3
InChIKeyGJCGNFCNRBXUFZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.85
Rot. Bonds6

About bis(2-methylpent-2-enyl) carbonate

bis(2-methylpent-2-enyl) carbonate (PubChem CID 57061938) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is bis(2-methylpent-2-enyl) carbonate.

Molecular Properties

Compound Namebis(2-methylpent-2-enyl) carbonate
PubChem CID57061938
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Namebis(2-methylpent-2-enyl) carbonate
SMILESCCC=C(C)COC(=O)OCC(C)=CCC
InChIInChI=1S/C13H22O3/c1-5-7-11(3)9-15-13(14)16-10-12(4)8-6-2/h7-8H,5-6,9-10H2,1-4H3
InChIKeyGJCGNFCNRBXUFZ-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.85
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 bis(2-methylpent-2-enyl) carbonate?
The IUPAC name of bis(2-methylpent-2-enyl) carbonate (CID 57061938) is bis(2-methylpent-2-enyl) carbonate.
What is the SMILES notation for bis(2-methylpent-2-enyl) carbonate?
The canonical SMILES for bis(2-methylpent-2-enyl) carbonate is CCC=C(C)COC(=O)OCC(C)=CCC.
What is the InChIKey of bis(2-methylpent-2-enyl) carbonate?
The InChIKey is GJCGNFCNRBXUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-5-7-11(3)9-15-13(14)16-10-12(4)8-6-2/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of bis(2-methylpent-2-enyl) carbonate?
bis(2-methylpent-2-enyl) carbonate has a molecular weight of 226.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpent-2-enyl) carbonate is sourced from PubChem (CID 57061938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).