(Z)-2,2-dimethyloct-4-en-3-one

C10H18O — CID 131248601

IUPAC(Z)-2,2-dimethyloct-4-en-3-one
SMILESCCC/C=C\C(=O)C(C)(C)C
InChIInChI=1S/C10H18O/c1-5-6-7-8-9(11)10(2,3)4/h7-8H,5-6H2,1-4H3/b8-7-
InChIKeyQVBHSBSOKHBDIZ-FPLPWBNLSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds3

About (Z)-2,2-dimethyloct-4-en-3-one

(Z)-2,2-dimethyloct-4-en-3-one (PubChem CID 131248601) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (Z)-2,2-dimethyloct-4-en-3-one.

Molecular Properties

Compound Name(Z)-2,2-dimethyloct-4-en-3-one
PubChem CID131248601
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(Z)-2,2-dimethyloct-4-en-3-one
SMILESCCC/C=C\C(=O)C(C)(C)C
InChIInChI=1S/C10H18O/c1-5-6-7-8-9(11)10(2,3)4/h7-8H,5-6H2,1-4H3/b8-7-
InChIKeyQVBHSBSOKHBDIZ-FPLPWBNLSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,2-dimethylhept-4-en-3-one
CID 12757137
[(3E)-hepta-1,3-dien-2-yl] 2,2-dimethylpropanoate
CID 102405006
2,2-diethyl-3-oxooct-4-enal
CID 57094676
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
2,2-dimethyldec-6-en-5-one
CID 141426644
(Z)-oct-4-en-1-yn-3-one
CID 89176441
(4E,6E)-2,2-dimethylnona-4,6-dien-3-one
CID 88588845
(Z)-1-chloro-4,4-dimethylpent-1-en-3-one
CID 101417122
(E)-N-tert-butyl-2-oxohept-3-enamide
CID 56659565
(E)-hex-2-enamide;hydrochloride
CID 141291310

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-dimethyloct-4-en-3-one?
The IUPAC name of (Z)-2,2-dimethyloct-4-en-3-one (CID 131248601) is (Z)-2,2-dimethyloct-4-en-3-one.
What is the SMILES notation for (Z)-2,2-dimethyloct-4-en-3-one?
The canonical SMILES for (Z)-2,2-dimethyloct-4-en-3-one is CCC/C=C\C(=O)C(C)(C)C.
What is the InChIKey of (Z)-2,2-dimethyloct-4-en-3-one?
The InChIKey is QVBHSBSOKHBDIZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H18O/c1-5-6-7-8-9(11)10(2,3)4/h7-8H,5-6H2,1-4H3/b8-7-.
What are the key properties of (Z)-2,2-dimethyloct-4-en-3-one?
(Z)-2,2-dimethyloct-4-en-3-one has a molecular weight of 154.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dimethyloct-4-en-3-one is sourced from PubChem (CID 131248601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).