methyl 3,5-dimethoxy-2-methylhexanoate

C10H20O4 — CID 21337454

IUPACmethyl 3,5-dimethoxy-2-methylhexanoate
SMILESCOC(=O)C(C)C(CC(C)OC)OC
InChIInChI=1S/C10H20O4/c1-7(12-3)6-9(13-4)8(2)10(11)14-5/h7-9H,6H2,1-5H3
InChIKeyKDTUHPDCHHTQKX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.24
Rot. Bonds6

About methyl 3,5-dimethoxy-2-methylhexanoate

methyl 3,5-dimethoxy-2-methylhexanoate (PubChem CID 21337454) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 3,5-dimethoxy-2-methylhexanoate.

Molecular Properties

Compound Namemethyl 3,5-dimethoxy-2-methylhexanoate
PubChem CID21337454
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namemethyl 3,5-dimethoxy-2-methylhexanoate
SMILESCOC(=O)C(C)C(CC(C)OC)OC
InChIInChI=1S/C10H20O4/c1-7(12-3)6-9(13-4)8(2)10(11)14-5/h7-9H,6H2,1-5H3
InChIKeyKDTUHPDCHHTQKX-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethoxy-2-methylhexanoate?
The IUPAC name of methyl 3,5-dimethoxy-2-methylhexanoate (CID 21337454) is methyl 3,5-dimethoxy-2-methylhexanoate.
What is the SMILES notation for methyl 3,5-dimethoxy-2-methylhexanoate?
The canonical SMILES for methyl 3,5-dimethoxy-2-methylhexanoate is COC(=O)C(C)C(CC(C)OC)OC.
What is the InChIKey of methyl 3,5-dimethoxy-2-methylhexanoate?
The InChIKey is KDTUHPDCHHTQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-7(12-3)6-9(13-4)8(2)10(11)14-5/h7-9H,6H2,1-5H3.
What are the key properties of methyl 3,5-dimethoxy-2-methylhexanoate?
methyl 3,5-dimethoxy-2-methylhexanoate has a molecular weight of 204.27 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethoxy-2-methylhexanoate is sourced from PubChem (CID 21337454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).