propyl undec-10-enyl carbonate

C15H28O3 — CID 6420632

IUPACpropyl undec-10-enyl carbonate
SMILESC=CCCCCCCCCCOC(=O)OCCC
InChIInChI=1S/C15H28O3/c1-3-5-6-7-8-9-10-11-12-14-18-15(16)17-13-4-2/h3H,1,4-14H2,2H3
InChIKeyZPSVGIBSBXOXHV-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.86
Rot. Bonds12

About propyl undec-10-enyl carbonate

propyl undec-10-enyl carbonate (PubChem CID 6420632) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is propyl undec-10-enyl carbonate.

Molecular Properties

Compound Namepropyl undec-10-enyl carbonate
PubChem CID6420632
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namepropyl undec-10-enyl carbonate
SMILESC=CCCCCCCCCCOC(=O)OCCC
InChIInChI=1S/C15H28O3/c1-3-5-6-7-8-9-10-11-12-14-18-15(16)17-13-4-2/h3H,1,4-14H2,2H3
InChIKeyZPSVGIBSBXOXHV-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.86
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 propyl undec-10-enyl carbonate?
The IUPAC name of propyl undec-10-enyl carbonate (CID 6420632) is propyl undec-10-enyl carbonate.
What is the SMILES notation for propyl undec-10-enyl carbonate?
The canonical SMILES for propyl undec-10-enyl carbonate is C=CCCCCCCCCCOC(=O)OCCC.
What is the InChIKey of propyl undec-10-enyl carbonate?
The InChIKey is ZPSVGIBSBXOXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-5-6-7-8-9-10-11-12-14-18-15(16)17-13-4-2/h3H,1,4-14H2,2H3.
What are the key properties of propyl undec-10-enyl carbonate?
propyl undec-10-enyl carbonate has a molecular weight of 256.39 g/mol, XLogP of 4.86, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl undec-10-enyl carbonate is sourced from PubChem (CID 6420632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).