propan-2-yl undec-1-en-3-yl carbonate

C15H28O3 — CID 88928604

IUPACpropan-2-yl undec-1-en-3-yl carbonate
SMILESC=CC(CCCCCCCC)OC(=O)OC(C)C
InChIInChI=1S/C15H28O3/c1-5-7-8-9-10-11-12-14(6-2)18-15(16)17-13(3)4/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyBJGREIONGGNMJX-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.85
Rot. Bonds10

About propan-2-yl undec-1-en-3-yl carbonate

propan-2-yl undec-1-en-3-yl carbonate (PubChem CID 88928604) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is propan-2-yl undec-1-en-3-yl carbonate.

Molecular Properties

Compound Namepropan-2-yl undec-1-en-3-yl carbonate
PubChem CID88928604
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namepropan-2-yl undec-1-en-3-yl carbonate
SMILESC=CC(CCCCCCCC)OC(=O)OC(C)C
InChIInChI=1S/C15H28O3/c1-5-7-8-9-10-11-12-14(6-2)18-15(16)17-13(3)4/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyBJGREIONGGNMJX-UHFFFAOYSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.85
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 propan-2-yl undec-1-en-3-yl carbonate?
The IUPAC name of propan-2-yl undec-1-en-3-yl carbonate (CID 88928604) is propan-2-yl undec-1-en-3-yl carbonate.
What is the SMILES notation for propan-2-yl undec-1-en-3-yl carbonate?
The canonical SMILES for propan-2-yl undec-1-en-3-yl carbonate is C=CC(CCCCCCCC)OC(=O)OC(C)C.
What is the InChIKey of propan-2-yl undec-1-en-3-yl carbonate?
The InChIKey is BJGREIONGGNMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-7-8-9-10-11-12-14(6-2)18-15(16)17-13(3)4/h6,13-14H,2,5,7-12H2,1,3-4H3.
What are the key properties of propan-2-yl undec-1-en-3-yl carbonate?
propan-2-yl undec-1-en-3-yl carbonate has a molecular weight of 256.39 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl undec-1-en-3-yl carbonate is sourced from PubChem (CID 88928604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).