ethyl undec-10-enyl carbonate

C14H26O3 — CID 6420634

IUPACethyl undec-10-enyl carbonate
SMILESC=CCCCCCCCCCOC(=O)OCC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15)16-4-2/h3H,1,4-13H2,2H3
InChIKeyPMTVFVCHMJCFJP-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.47
Rot. Bonds11

About ethyl undec-10-enyl carbonate

ethyl undec-10-enyl carbonate (PubChem CID 6420634) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl undec-10-enyl carbonate.

Molecular Properties

Compound Nameethyl undec-10-enyl carbonate
PubChem CID6420634
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameethyl undec-10-enyl carbonate
SMILESC=CCCCCCCCCCOC(=O)OCC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15)16-4-2/h3H,1,4-13H2,2H3
InChIKeyPMTVFVCHMJCFJP-UHFFFAOYSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.47
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 ethyl undec-10-enyl carbonate?
The IUPAC name of ethyl undec-10-enyl carbonate (CID 6420634) is ethyl undec-10-enyl carbonate.
What is the SMILES notation for ethyl undec-10-enyl carbonate?
The canonical SMILES for ethyl undec-10-enyl carbonate is C=CCCCCCCCCCOC(=O)OCC.
What is the InChIKey of ethyl undec-10-enyl carbonate?
The InChIKey is PMTVFVCHMJCFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-13-17-14(15)16-4-2/h3H,1,4-13H2,2H3.
What are the key properties of ethyl undec-10-enyl carbonate?
ethyl undec-10-enyl carbonate has a molecular weight of 242.36 g/mol, XLogP of 4.47, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl undec-10-enyl carbonate is sourced from PubChem (CID 6420634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).