(E)-dec-7-ene-3,6-dione

C10H16O2 — CID 88902594

IUPAC(E)-dec-7-ene-3,6-dione
SMILESCC/C=C/C(=O)CCC(=O)CC
InChIInChI=1S/C10H16O2/c1-3-5-6-10(12)8-7-9(11)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyODYKZDJIRJZGDP-AATRIKPKSA-N
MW168.24 g/mol
LogP2.28
Rot. Bonds6

About (E)-dec-7-ene-3,6-dione

(E)-dec-7-ene-3,6-dione (PubChem CID 88902594) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-dec-7-ene-3,6-dione.

Molecular Properties

Compound Name(E)-dec-7-ene-3,6-dione
PubChem CID88902594
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-dec-7-ene-3,6-dione
SMILESCC/C=C/C(=O)CCC(=O)CC
InChIInChI=1S/C10H16O2/c1-3-5-6-10(12)8-7-9(11)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyODYKZDJIRJZGDP-AATRIKPKSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-aminohept-4-en-3-one
CID 141202462
hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one
CID 90126203
(E)-pent-2-enoic acid
CID 638122
(6Z,11E,15Z)-10-oxooctadeca-6,11,15-trienoic acid
CID 75203220
methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one
CID 161199069
4,7-dioxononanoic acid
CID 131853038
pent-2-enoic acid;hydrochloride
CID 156883966
hexane;hex-3-en-2-one
CID 159035878
(E)-N,N-dimethylpent-2-enamide;ethane
CID 162375612
(Z)-hex-3-ene;propanoic acid
CID 174827236
heptadecane-3,7,11,15-tetrone
CID 160942813

Frequently Asked Questions

What is the IUPAC name of (E)-dec-7-ene-3,6-dione?
The IUPAC name of (E)-dec-7-ene-3,6-dione (CID 88902594) is (E)-dec-7-ene-3,6-dione.
What is the SMILES notation for (E)-dec-7-ene-3,6-dione?
The canonical SMILES for (E)-dec-7-ene-3,6-dione is CC/C=C/C(=O)CCC(=O)CC.
What is the InChIKey of (E)-dec-7-ene-3,6-dione?
The InChIKey is ODYKZDJIRJZGDP-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-6-10(12)8-7-9(11)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of (E)-dec-7-ene-3,6-dione?
(E)-dec-7-ene-3,6-dione has a molecular weight of 168.24 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dec-7-ene-3,6-dione is sourced from PubChem (CID 88902594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).