(Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one

C17H32O2 — CID 148796201

IUPAC(Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one
SMILESCCC(CC)(CC)C(=O)/C=C(\O)C(CC)(CC)CC
InChIInChI=1S/C17H32O2/c1-7-16(8-2,9-3)14(18)13-15(19)17(10-4,11-5)12-6/h13,18H,7-12H2,1-6H3/b14-13-
InChIKeyLFTSVPDVTVMZNY-YPKPFQOOSA-N
MW268.44 g/mol
LogP5.43
Rot. Bonds9

About (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one

(Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one (PubChem CID 148796201) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one.

Molecular Properties

Compound Name(Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one
PubChem CID148796201
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one
SMILESCCC(CC)(CC)C(=O)/C=C(\O)C(CC)(CC)CC
InChIInChI=1S/C17H32O2/c1-7-16(8-2,9-3)14(18)13-15(19)17(10-4,11-5)12-6/h13,18H,7-12H2,1-6H3/b14-13-
InChIKeyLFTSVPDVTVMZNY-YPKPFQOOSA-N
XLogP5.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.43
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'}

Analyze (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;2,2-diethylbutanoic acid
CID 173369262
acetic acid;2,2-diethylbutanoic acid
CID 162011618
(Z)-9,9,9-trifluoro-6-hydroxy-3,3,7-trimethyl-7-(2,2,2-trifluoroethyl)non-5-en-4-one
CID 147286139
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;nickel
CID 174321081
2,2-diethylhexanoic acid;indigane
CID 175172164
2,2-diethyl-5-hydroxypentanoic acid
CID 79425038
CID 87969329
CID 87969329
(Z)-4-ethyl-3-hydroxy-4-methyl-1-triethylsilylhex-2-en-1-one
CID 166035028
2,2-bis(hydroxymethyl)butanethioic S-acid
CID 139830400
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
CID 71311421
CID 6849360
CID 6849360

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one?
The IUPAC name of (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one (CID 148796201) is (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one.
What is the SMILES notation for (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one?
The canonical SMILES for (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one is CCC(CC)(CC)C(=O)/C=C(\O)C(CC)(CC)CC.
What is the InChIKey of (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one?
The InChIKey is LFTSVPDVTVMZNY-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H32O2/c1-7-16(8-2,9-3)14(18)13-15(19)17(10-4,11-5)12-6/h13,18H,7-12H2,1-6H3/b14-13-.
What are the key properties of (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one?
(Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one has a molecular weight of 268.44 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,7,7-tetraethyl-6-hydroxynon-5-en-4-one is sourced from PubChem (CID 148796201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).