2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium

C15H29O2Y- — CID 59965814

IUPAC2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium
SMILESCC[C-](C)C(=O)OC(C)(CC(C)C)CC(C)C.[Y]
InChIInChI=1S/C15H29O2.Y/c1-8-13(6)14(16)17-15(7,9-11(2)3)10-12(4)5;/h11-12H,8-10H2,1-7H3;/q-1;
InChIKeyLSVPMJSJNYLFAP-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.38
Rot. Bonds7

About 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium

2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium (PubChem CID 59965814) has the molecular formula C15H29O2Y- and a molecular weight of 330.30 g/mol. Its IUPAC name is 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium.

Molecular Properties

Compound Name2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium
PubChem CID59965814
Molecular FormulaC15H29O2Y-
Molecular Weight330.30 g/mol
Exact Mass330.12
IUPAC Name2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium
SMILESCC[C-](C)C(=O)OC(C)(CC(C)C)CC(C)C.[Y]
InChIInChI=1S/C15H29O2.Y/c1-8-13(6)14(16)17-15(7,9-11(2)3)10-12(4)5;/h11-12H,8-10H2,1-7H3;/q-1;
InChIKeyLSVPMJSJNYLFAP-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium 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

2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)
CID 18731035
2,4-dimethyloctan-4-yl acetate
CID 13307726
2,4-dimethyloctan-4-yl hydrogen carbonate
CID 175223013
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
2,4-dimethylpentan-2-yl 2-methylbutanoate
CID 121443885
2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 88590008
2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid
CID 126560988

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium?
The IUPAC name of 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium (CID 59965814) is 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium.
What is the SMILES notation for 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium?
The canonical SMILES for 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium is CC[C-](C)C(=O)OC(C)(CC(C)C)CC(C)C.[Y].
What is the InChIKey of 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium?
The InChIKey is LSVPMJSJNYLFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O2.Y/c1-8-13(6)14(16)17-15(7,9-11(2)3)10-12(4)5;/h11-12H,8-10H2,1-7H3;/q-1;.
What are the key properties of 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium?
2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium has a molecular weight of 330.30 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium is sourced from PubChem (CID 59965814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).