(3E)-cyclododec-3-ene-1,2-dione

C12H18O2 — CID 14605760

IUPAC(3E)-cyclododec-3-ene-1,2-dione
SMILESO=C1/C=C/CCCCCCCCC1=O
InChIInChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h7,9H,1-6,8,10H2/b9-7+
InChIKeyNGWGWAXHAZPQRR-VQHVLOKHSA-N
MW194.27 g/mol
LogP2.82
Rot. Bonds

About (3E)-cyclododec-3-ene-1,2-dione

(3E)-cyclododec-3-ene-1,2-dione (PubChem CID 14605760) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3E)-cyclododec-3-ene-1,2-dione.

Molecular Properties

Compound Name(3E)-cyclododec-3-ene-1,2-dione
PubChem CID14605760
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3E)-cyclododec-3-ene-1,2-dione
SMILESO=C1/C=C/CCCCCCCCC1=O
InChIInChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h7,9H,1-6,8,10H2/b9-7+
InChIKeyNGWGWAXHAZPQRR-VQHVLOKHSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-cyclododec-3-ene-1,2-dione?
The IUPAC name of (3E)-cyclododec-3-ene-1,2-dione (CID 14605760) is (3E)-cyclododec-3-ene-1,2-dione.
What is the SMILES notation for (3E)-cyclododec-3-ene-1,2-dione?
The canonical SMILES for (3E)-cyclododec-3-ene-1,2-dione is O=C1/C=C/CCCCCCCCC1=O.
What is the InChIKey of (3E)-cyclododec-3-ene-1,2-dione?
The InChIKey is NGWGWAXHAZPQRR-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h7,9H,1-6,8,10H2/b9-7+.
What are the key properties of (3E)-cyclododec-3-ene-1,2-dione?
(3E)-cyclododec-3-ene-1,2-dione has a molecular weight of 194.27 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-cyclododec-3-ene-1,2-dione is sourced from PubChem (CID 14605760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).