[(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate

C14H26O2 — CID 6366382

IUPAC[(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate
SMILESC/C=C/CC(C)C(C)CCOC(=O)C(C)C
InChIInChI=1S/C14H26O2/c1-6-7-8-12(4)13(5)9-10-16-14(15)11(2)3/h6-7,11-13H,8-10H2,1-5H3/b7-6+
InChIKeyZJHFTQIXQYXSCQ-VOTSOKGWSA-N
MW226.36 g/mol
LogP3.81
Rot. Bonds7

About [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate

[(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate (PubChem CID 6366382) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate
PubChem CID6366382
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate
SMILESC/C=C/CC(C)C(C)CCOC(=O)C(C)C
InChIInChI=1S/C14H26O2/c1-6-7-8-12(4)13(5)9-10-16-14(15)11(2)3/h6-7,11-13H,8-10H2,1-5H3/b7-6+
InChIKeyZJHFTQIXQYXSCQ-VOTSOKGWSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate 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

(E,3S,4R)-3,4-dimethyloct-6-enamide
CID 89087152
3-oxopentyl 2-methylpropanoate
CID 58600127
3-ethylhex-5-enyl 2-methylpropanoate
CID 130357281
(E)-2-[(E)-but-2-enyl]-3-methylhept-5-enoic acid
CID 20820807
ethane;(E)-N,3,4-trimethyloct-6-enamide
CID 144600492
(E)-2-methylhex-4-enamide
CID 126589197
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
(E,2S,3R,4R)-2-amino-3-hydroxy-4-methyloct-6-enoic acid
CID 5282047
dipropan-2-yl 2-[(E)-but-2-enyl]propanedioate
CID 103972693
methyl (E,2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoate
CID 15735829
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268
(E)-3-hydroxy-4-methyloct-6-enoic acid
CID 87602853

Frequently Asked Questions

What is the IUPAC name of [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate?
The IUPAC name of [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate (CID 6366382) is [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate.
What is the SMILES notation for [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate?
The canonical SMILES for [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate is C/C=C/CC(C)C(C)CCOC(=O)C(C)C.
What is the InChIKey of [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate?
The InChIKey is ZJHFTQIXQYXSCQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-7-8-12(4)13(5)9-10-16-14(15)11(2)3/h6-7,11-13H,8-10H2,1-5H3/b7-6+.
What are the key properties of [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate?
[(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate has a molecular weight of 226.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,4-dimethyloct-6-enyl] 2-methylpropanoate is sourced from PubChem (CID 6366382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).