undec-7-ene-2,4-dione

C11H18O2 — CID 175206298

IUPACundec-7-ene-2,4-dione
SMILESCCCC=CCCC(=O)CC(C)=O
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-11(13)9-10(2)12/h5-6H,3-4,7-9H2,1-2H3
InChIKeyRLNHFXBTCMIMIR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.67
Rot. Bonds7

About undec-7-ene-2,4-dione

undec-7-ene-2,4-dione (PubChem CID 175206298) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is undec-7-ene-2,4-dione.

Molecular Properties

Compound Nameundec-7-ene-2,4-dione
PubChem CID175206298
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameundec-7-ene-2,4-dione
SMILESCCCC=CCCC(=O)CC(C)=O
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-11(13)9-10(2)12/h5-6H,3-4,7-9H2,1-2H3
InChIKeyRLNHFXBTCMIMIR-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

heptane-2,4-dione;palladium(2+)
CID 21417766
bis(heptane-2,4-dione);platinum
CID 158167242
methyl (Z)-oct-4-enoate
CID 5352774
cobalt(2+);octane-2,4-dione
CID 22152476
pentadecane-2,4-dione
CID 529775
dec-5-en-2-one
CID 71363330
(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylheptacosa-8,11,14,17,20,23-hexaen-5-one
CID 155632900
acetic acid;(E)-hex-2-ene
CID 174958018
methyl 3-oxonon-6-enoate
CID 54100813
(E)-2-methyldec-6-en-3-one
CID 58528187
(E)-N,N-dimethyloct-4-enamide
CID 13308679
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329

Frequently Asked Questions

What is the IUPAC name of undec-7-ene-2,4-dione?
The IUPAC name of undec-7-ene-2,4-dione (CID 175206298) is undec-7-ene-2,4-dione.
What is the SMILES notation for undec-7-ene-2,4-dione?
The canonical SMILES for undec-7-ene-2,4-dione is CCCC=CCCC(=O)CC(C)=O.
What is the InChIKey of undec-7-ene-2,4-dione?
The InChIKey is RLNHFXBTCMIMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-7-8-11(13)9-10(2)12/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of undec-7-ene-2,4-dione?
undec-7-ene-2,4-dione has a molecular weight of 182.26 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-7-ene-2,4-dione is sourced from PubChem (CID 175206298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).