methyl 6,6-dimethoxy-4-methylhexanoate

C10H20O4 — CID 134870779

IUPACmethyl 6,6-dimethoxy-4-methylhexanoate
SMILESCOC(=O)CCC(C)CC(OC)OC
InChIInChI=1S/C10H20O4/c1-8(5-6-9(11)12-2)7-10(13-3)14-4/h8,10H,5-7H2,1-4H3
InChIKeyVWDITWDRZBSARM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.58
Rot. Bonds7

About methyl 6,6-dimethoxy-4-methylhexanoate

methyl 6,6-dimethoxy-4-methylhexanoate (PubChem CID 134870779) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 6,6-dimethoxy-4-methylhexanoate.

Molecular Properties

Compound Namemethyl 6,6-dimethoxy-4-methylhexanoate
PubChem CID134870779
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namemethyl 6,6-dimethoxy-4-methylhexanoate
SMILESCOC(=O)CCC(C)CC(OC)OC
InChIInChI=1S/C10H20O4/c1-8(5-6-9(11)12-2)7-10(13-3)14-4/h8,10H,5-7H2,1-4H3
InChIKeyVWDITWDRZBSARM-UHFFFAOYSA-N
XLogP1.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Hexanoic acid, 4-methyl-, ethyl ester
CID 102647
Methyl 4-methylhexanoate
CID 519893
Methyl 3-methylhexanoate
CID 11535583
Ethyl3-methylhexanoate
CID 12266707
Dimethyl 3-methylhexanedioate
CID 521519
Butyl 4-methylhexanoate
CID 12159498
Hexanedioic acid, 3-methyl-, dibutyl ester
CID 607982
Ethyl 3-ethylhexanoate
CID 24754500
Methyl 6,6-dimethoxyhexanoate
CID 11041551
Dimethyl 2,4-dimethylhexanedioate
CID 536464
Butyl 3-methylhexanoate
CID 6429068
Methyl 3,5-dimethyl-6-(tetrahydro-2h-pyran-2-yloxy)-hexanoate
CID 129866516

Frequently Asked Questions

What is the IUPAC name of methyl 6,6-dimethoxy-4-methylhexanoate?
The IUPAC name of methyl 6,6-dimethoxy-4-methylhexanoate (CID 134870779) is methyl 6,6-dimethoxy-4-methylhexanoate.
What is the SMILES notation for methyl 6,6-dimethoxy-4-methylhexanoate?
The canonical SMILES for methyl 6,6-dimethoxy-4-methylhexanoate is COC(=O)CCC(C)CC(OC)OC.
What is the InChIKey of methyl 6,6-dimethoxy-4-methylhexanoate?
The InChIKey is VWDITWDRZBSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-8(5-6-9(11)12-2)7-10(13-3)14-4/h8,10H,5-7H2,1-4H3.
What are the key properties of methyl 6,6-dimethoxy-4-methylhexanoate?
methyl 6,6-dimethoxy-4-methylhexanoate has a molecular weight of 204.27 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,6-dimethoxy-4-methylhexanoate is sourced from PubChem (CID 134870779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).