2,3-dimethyloct-7-en-4-one

C10H18O — CID 114974911

IUPAC2,3-dimethyloct-7-en-4-one
SMILESC=CCCC(=O)C(C)C(C)C
InChIInChI=1S/C10H18O/c1-5-6-7-10(11)9(4)8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyKXURSGIKBDHEGU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.81
Rot. Bonds5

About 2,3-dimethyloct-7-en-4-one

2,3-dimethyloct-7-en-4-one (PubChem CID 114974911) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,3-dimethyloct-7-en-4-one.

Molecular Properties

Compound Name2,3-dimethyloct-7-en-4-one
PubChem CID114974911
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,3-dimethyloct-7-en-4-one
SMILESC=CCCC(=O)C(C)C(C)C
InChIInChI=1S/C10H18O/c1-5-6-7-10(11)9(4)8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyKXURSGIKBDHEGU-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2,3-dimethylheptan-4-one
CID 121285503
2,3-dimethylheptan-4-one
CID 19867142
9-amino-6-methylnon-1-en-5-one
CID 116613429
3-amino-2-methylnon-8-en-4-one
CID 116549029
methyl 2-but-3-enyl-3-oxohept-6-enoate
CID 11424355
6-methoxynon-1-en-5-one
CID 116708016
1-(propan-2-ylamino)hex-5-en-2-one
CID 116554839
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
1-cyclopropyl-1-methoxyhex-5-en-2-one
CID 116708905
2-methylidene-N-propan-2-ylhex-5-enamide
CID 14418381
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
butan-2-yl pent-4-enoate
CID 58193499

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyloct-7-en-4-one?
The IUPAC name of 2,3-dimethyloct-7-en-4-one (CID 114974911) is 2,3-dimethyloct-7-en-4-one.
What is the SMILES notation for 2,3-dimethyloct-7-en-4-one?
The canonical SMILES for 2,3-dimethyloct-7-en-4-one is C=CCCC(=O)C(C)C(C)C.
What is the InChIKey of 2,3-dimethyloct-7-en-4-one?
The InChIKey is KXURSGIKBDHEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-6-7-10(11)9(4)8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 2,3-dimethyloct-7-en-4-one?
2,3-dimethyloct-7-en-4-one has a molecular weight of 154.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyloct-7-en-4-one is sourced from PubChem (CID 114974911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).