methyl 4-(dimethoxymethyl)hexanoate

C10H20O4 — CID 12952916

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

About methyl 4-(dimethoxymethyl)hexanoate

methyl 4-(dimethoxymethyl)hexanoate (PubChem CID 12952916) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 4-(dimethoxymethyl)hexanoate.

Molecular Properties

Compound Namemethyl 4-(dimethoxymethyl)hexanoate
PubChem CID12952916
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namemethyl 4-(dimethoxymethyl)hexanoate
SMILESCCC(CCC(=O)OC)C(OC)OC
InChIInChI=1S/C10H20O4/c1-5-8(10(13-3)14-4)6-7-9(11)12-2/h8,10H,5-7H2,1-4H3
InChIKeyHEFGPYKZRIXQNI-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

Dimethyl 3-propylpentanedioate
CID 21678125
AC1LD4OY
CID 642292
Methyl 3,5-dimethyl-6-(tetrahydro-2h-pyran-2-yloxy)-hexanoate
CID 129866516
Methyl 5,5-dimethoxy-2-methylhexanoate
CID 13780576
Diethyl-3-npropyl glutarate
CID 18618095
1,5-Dimethyl 3-(2-methylpropyl)pentanedioate
CID 15152901
Dimethyl 2-ethylpentanedioate
CID 581802
3-Methoxycarbonylmethylhexanedioic acid, dimethyl ester
CID 588217
Diethyl 2-ethylpentanedioate
CID 12441482
cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
CID 21631979
cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid
CID 11116791
Methyl (s)-5,5-dimethoxy-3-methylpentanoate
CID 12088059

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethoxymethyl)hexanoate?
The IUPAC name of methyl 4-(dimethoxymethyl)hexanoate (CID 12952916) is methyl 4-(dimethoxymethyl)hexanoate.
What is the SMILES notation for methyl 4-(dimethoxymethyl)hexanoate?
The canonical SMILES for methyl 4-(dimethoxymethyl)hexanoate is CCC(CCC(=O)OC)C(OC)OC.
What is the InChIKey of methyl 4-(dimethoxymethyl)hexanoate?
The InChIKey is HEFGPYKZRIXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-8(10(13-3)14-4)6-7-9(11)12-2/h8,10H,5-7H2,1-4H3.
What are the key properties of methyl 4-(dimethoxymethyl)hexanoate?
methyl 4-(dimethoxymethyl)hexanoate 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 4-(dimethoxymethyl)hexanoate is sourced from PubChem (CID 12952916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).