bis[(E)-pent-2-en-2-yl] carbonate

C11H18O3 — CID 89437425

IUPACbis[(E)-pent-2-en-2-yl] carbonate
SMILESCC/C=C(\C)OC(=O)O/C(C)=C/CC
InChIInChI=1S/C11H18O3/c1-5-7-9(3)13-11(12)14-10(4)8-6-2/h7-8H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyWSJWEZAQEMSXGP-FIFLTTCUSA-N
MW198.26 g/mol
LogP3.77
Rot. Bonds4

About bis[(E)-pent-2-en-2-yl] carbonate

bis[(E)-pent-2-en-2-yl] carbonate (PubChem CID 89437425) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is bis[(E)-pent-2-en-2-yl] carbonate.

Molecular Properties

Compound Namebis[(E)-pent-2-en-2-yl] carbonate
PubChem CID89437425
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namebis[(E)-pent-2-en-2-yl] carbonate
SMILESCC/C=C(\C)OC(=O)O/C(C)=C/CC
InChIInChI=1S/C11H18O3/c1-5-7-9(3)13-11(12)14-10(4)8-6-2/h7-8H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyWSJWEZAQEMSXGP-FIFLTTCUSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(E)-pent-2-en-2-yl] carbonate?
The IUPAC name of bis[(E)-pent-2-en-2-yl] carbonate (CID 89437425) is bis[(E)-pent-2-en-2-yl] carbonate.
What is the SMILES notation for bis[(E)-pent-2-en-2-yl] carbonate?
The canonical SMILES for bis[(E)-pent-2-en-2-yl] carbonate is CC/C=C(\C)OC(=O)O/C(C)=C/CC.
What is the InChIKey of bis[(E)-pent-2-en-2-yl] carbonate?
The InChIKey is WSJWEZAQEMSXGP-FIFLTTCUSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-7-9(3)13-11(12)14-10(4)8-6-2/h7-8H,5-6H2,1-4H3/b9-7+,10-8+.
What are the key properties of bis[(E)-pent-2-en-2-yl] carbonate?
bis[(E)-pent-2-en-2-yl] carbonate has a molecular weight of 198.26 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-pent-2-en-2-yl] carbonate is sourced from PubChem (CID 89437425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).