[(2E)-cyclododec-2-en-1-yl] acetate

C14H24O2 — CID 12794161

IUPAC[(2E)-cyclododec-2-en-1-yl] acetate
SMILESCC(=O)OC1/C=C/CCCCCCCCC1
InChIInChI=1S/C14H24O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h9,11,14H,2-8,10,12H2,1H3/b11-9+
InChIKeyPWLDTVNIXKBWSQ-PKNBQFBNSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds1

About [(2E)-cyclododec-2-en-1-yl] acetate

[(2E)-cyclododec-2-en-1-yl] acetate (PubChem CID 12794161) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(2E)-cyclododec-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(2E)-cyclododec-2-en-1-yl] acetate
PubChem CID12794161
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(2E)-cyclododec-2-en-1-yl] acetate
SMILESCC(=O)OC1/C=C/CCCCCCCCC1
InChIInChI=1S/C14H24O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h9,11,14H,2-8,10,12H2,1H3/b11-9+
InChIKeyPWLDTVNIXKBWSQ-PKNBQFBNSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(2E)-cyclododec-2-en-1-yl] acetate?
The IUPAC name of [(2E)-cyclododec-2-en-1-yl] acetate (CID 12794161) is [(2E)-cyclododec-2-en-1-yl] acetate.
What is the SMILES notation for [(2E)-cyclododec-2-en-1-yl] acetate?
The canonical SMILES for [(2E)-cyclododec-2-en-1-yl] acetate is CC(=O)OC1/C=C/CCCCCCCCC1.
What is the InChIKey of [(2E)-cyclododec-2-en-1-yl] acetate?
The InChIKey is PWLDTVNIXKBWSQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H24O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h9,11,14H,2-8,10,12H2,1H3/b11-9+.
What are the key properties of [(2E)-cyclododec-2-en-1-yl] acetate?
[(2E)-cyclododec-2-en-1-yl] acetate has a molecular weight of 224.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-cyclododec-2-en-1-yl] acetate is sourced from PubChem (CID 12794161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).