(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one

C9H16O2 — CID 5378288

IUPAC(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one
SMILESCC(C)C(=O)/C=C(\O)C(C)C
InChIInChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h5-7,10H,1-4H3/b8-5-
InChIKeyJIYKPNNTWHWONK-YVMONPNESA-N
MW156.22 g/mol
LogP2.31
Rot. Bonds3

About (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one

(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one (PubChem CID 5378288) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one
PubChem CID5378288
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one
SMILESCC(C)C(=O)/C=C(\O)C(C)C
InChIInChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h5-7,10H,1-4H3/b8-5-
InChIKeyJIYKPNNTWHWONK-YVMONPNESA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
CID 84639
4-Hydroxy-8-methyl-5-(3-methylbut-2-enyl)nona-3,7-dien-2-one
CID 85186335
(4Z)-5-Hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one
CID 5363779
(3Z)-4-hydroxy-8-methyl-5-(3-methylbut-2-enyl)nona-3,7-dien-2-one
CID 10561817
2,5,6-Trimethyl-4-hepten-3-one
CID 573828
(Z)-4-hydroxy-5-methylhex-3-en-2-one
CID 5367921
4-Hepten-3-one, 2,5,6-trimethyl-
CID 5370236
2,10-Dimethyl 4-hydroxy-6-oxo-4-undecen-7-yne
CID 139584097
4-Hydroxy-2,10-dimethylundec-4-en-7-yn-6-one
CID 163055333
4-Hydroxy-6-methyl-hept-3-en-2-one
CID 84301
6-Hydroxynon-5-en-4-one
CID 167668
(Z)-3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one
CID 146666175

Frequently Asked Questions

What is the IUPAC name of (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one?
The IUPAC name of (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one (CID 5378288) is (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one.
What is the SMILES notation for (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one?
The canonical SMILES for (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one is CC(C)C(=O)/C=C(\O)C(C)C.
What is the InChIKey of (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one?
The InChIKey is JIYKPNNTWHWONK-YVMONPNESA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h5-7,10H,1-4H3/b8-5-.
What are the key properties of (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one?
(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one has a molecular weight of 156.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one is sourced from PubChem (CID 5378288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).