methyl 2-ethyl-5,5-dimethoxypentanoate

C10H20O4 — CID 11030935

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

About methyl 2-ethyl-5,5-dimethoxypentanoate

methyl 2-ethyl-5,5-dimethoxypentanoate (PubChem CID 11030935) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 2-ethyl-5,5-dimethoxypentanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-5,5-dimethoxypentanoate
PubChem CID11030935
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namemethyl 2-ethyl-5,5-dimethoxypentanoate
SMILESCCC(CCC(OC)OC)C(=O)OC
InChIInChI=1S/C10H20O4/c1-5-8(10(11)14-4)6-7-9(12-2)13-3/h8-9H,5-7H2,1-4H3
InChIKeyOSOORWBIBFIFCK-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

Ethyl 2-acetyl-5,5-diethoxypentanoate
CID 250829
AC1LD4OY
CID 642292
Methyl 3,5-dimethyl-6-(tetrahydro-2h-pyran-2-yloxy)-hexanoate
CID 129866516
Dimethyl (3,3-dimethoxypropyl)propanedioate
CID 13379916
Diethyl-3-npropyl glutarate
CID 18618095
Valdice
CID 185249
Glutaric acid, ethyl 2-ethylhexyl ester
CID 91718035
Diethyl 2-ethylpentanedioate
CID 12441482
cis-ethyl (1R,2S)-2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
CID 21631979
Methyl (s)-5,5-dimethoxy-3-methylpentanoate
CID 12088059
1-O-ethyl 5-O-methyl 2-ethylpentanedioate
CID 14196800
Propan-2-yl 2-ethyl-5-(oxan-2-yloxy)pentanoate
CID 14214409

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5,5-dimethoxypentanoate?
The IUPAC name of methyl 2-ethyl-5,5-dimethoxypentanoate (CID 11030935) is methyl 2-ethyl-5,5-dimethoxypentanoate.
What is the SMILES notation for methyl 2-ethyl-5,5-dimethoxypentanoate?
The canonical SMILES for methyl 2-ethyl-5,5-dimethoxypentanoate is CCC(CCC(OC)OC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5,5-dimethoxypentanoate?
The InChIKey is OSOORWBIBFIFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-8(10(11)14-4)6-7-9(12-2)13-3/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 2-ethyl-5,5-dimethoxypentanoate?
methyl 2-ethyl-5,5-dimethoxypentanoate 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 2-ethyl-5,5-dimethoxypentanoate is sourced from PubChem (CID 11030935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).