(Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one

C14H26O2 — CID 130242294

IUPAC(Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one
SMILESCC/C(C(=O)C(CC)CC)=C(/OC)C(C)C
InChIInChI=1S/C14H26O2/c1-7-11(8-2)13(15)12(9-3)14(16-6)10(4)5/h10-11H,7-9H2,1-6H3/b14-12-
InChIKeyPFPYXNKLJGPJFR-OWBHPGMISA-N
MW226.36 g/mol
LogP3.96
Rot. Bonds7

About (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one

(Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one (PubChem CID 130242294) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one.

Molecular Properties

Compound Name(Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one
PubChem CID130242294
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one
SMILESCC/C(C(=O)C(CC)CC)=C(/OC)C(C)C
InChIInChI=1S/C14H26O2/c1-7-11(8-2)13(15)12(9-3)14(16-6)10(4)5/h10-11H,7-9H2,1-6H3/b14-12-
InChIKeyPFPYXNKLJGPJFR-OWBHPGMISA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
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)-3,5-diethyl-6-methoxy-7-methyloct-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

3-ethyl-2-oxopentanamide
CID 21120726
methyl 2-ethyl-5-oxopentanoate
CID 10997312
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
methyl 2-ethyl-4-(3-methoxycarbonylpentyldisulfanyl)butanoate
CID 141221239
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
N-(1-sulfanylethyl)propanamide
CID 22119628
4-ethyl-2-methylhex-1-en-3-one
CID 115780929
2-methyl-N-propanoylpropanamide
CID 13378668
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-methyl-3,4-dioxo-4-(propanoylamino)butanoate
CID 20660438

Frequently Asked Questions

What is the IUPAC name of (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one?
The IUPAC name of (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one (CID 130242294) is (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one.
What is the SMILES notation for (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one?
The canonical SMILES for (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one is CC/C(C(=O)C(CC)CC)=C(/OC)C(C)C.
What is the InChIKey of (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one?
The InChIKey is PFPYXNKLJGPJFR-OWBHPGMISA-N. The full InChI is InChI=1S/C14H26O2/c1-7-11(8-2)13(15)12(9-3)14(16-6)10(4)5/h10-11H,7-9H2,1-6H3/b14-12-.
What are the key properties of (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one?
(Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one has a molecular weight of 226.36 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,5-diethyl-6-methoxy-7-methyloct-5-en-4-one is sourced from PubChem (CID 130242294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).