10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate

C20H38O5 — CID 91702818

IUPAC10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate
SMILESCOCCC(C)COC(=O)CCCCCCCCC(=O)OCC(C)C
InChIInChI=1S/C20H38O5/c1-17(2)15-24-19(21)11-9-7-5-6-8-10-12-20(22)25-16-18(3)13-14-23-4/h17-18H,5-16H2,1-4H3
InChIKeyZGNCEECORMLRJR-UHFFFAOYSA-N
MW358.52 g/mol
LogP4.52
Rot. Bonds16

About 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate

10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate (PubChem CID 91702818) has the molecular formula C20H38O5 and a molecular weight of 358.52 g/mol. Its IUPAC name is 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate.

Molecular Properties

Compound Name10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate
PubChem CID91702818
Molecular FormulaC20H38O5
Molecular Weight358.52 g/mol
Exact Mass358.27
IUPAC Name10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate
SMILESCOCCC(C)COC(=O)CCCCCCCCC(=O)OCC(C)C
InChIInChI=1S/C20H38O5/c1-17(2)15-24-19(21)11-9-7-5-6-8-10-12-20(22)25-16-18(3)13-14-23-4/h17-18H,5-16H2,1-4H3
InChIKeyZGNCEECORMLRJR-UHFFFAOYSA-N
XLogP4.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate 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

bis(4-methoxy-2-methylbutyl) butanedioate
CID 91701480
1-O-hexyl 6-O-(4-methoxy-2-methylbutyl) hexanedioate
CID 91702400
2-methylpropyl 5-methoxypentanoate
CID 134561762
bis(2,5-dimethylhexyl) hexanedioate
CID 155755253
(4-methoxy-2-methylbutyl) 4-oxopentanoate
CID 18345462
bis(2-methylpentyl) heptanedioate
CID 91718408
2-methylhex-5-enyl undec-10-enoate
CID 11150207
2-methylundecyl undecanoate
CID 71429255
bis(2-methylpropyl) 3-propan-2-ylnonadecanedioate
CID 87117444
10-O-(2-chloropropyl) 1-O-(2-methylpropyl) decanedioate
CID 91739454
1-O-decyl 7-O-(2-methylpropyl) heptanedioate
CID 91718362
1-O-(3,7-dimethyloct-6-enyl) 6-O-(2-methylpropyl) hexanedioate
CID 91713676

Frequently Asked Questions

What is the IUPAC name of 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate?
The IUPAC name of 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate (CID 91702818) is 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate.
What is the SMILES notation for 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate?
The canonical SMILES for 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate is COCCC(C)COC(=O)CCCCCCCCC(=O)OCC(C)C.
What is the InChIKey of 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate?
The InChIKey is ZGNCEECORMLRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5/c1-17(2)15-24-19(21)11-9-7-5-6-8-10-12-20(22)25-16-18(3)13-14-23-4/h17-18H,5-16H2,1-4H3.
What are the key properties of 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate?
10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate has a molecular weight of 358.52 g/mol, XLogP of 4.52, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate is sourced from PubChem (CID 91702818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).