5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid

C14H28O4 — CID 18716746

IUPAC5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid
SMILESCCC(C)(CCC(C)(CC)C(OC)OC)C(=O)O
InChIInChI=1S/C14H28O4/c1-7-13(3,11(15)16)9-10-14(4,8-2)12(17-5)18-6/h12H,7-10H2,1-6H3,(H,15,16)
InChIKeySEYNXLDHKKMNLK-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.30
Rot. Bonds9

About 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid

5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid (PubChem CID 18716746) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid.

Molecular Properties

Compound Name5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid
PubChem CID18716746
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid
SMILESCCC(C)(CCC(C)(CC)C(OC)OC)C(=O)O
InChIInChI=1S/C14H28O4/c1-7-13(3,11(15)16)9-10-14(4,8-2)12(17-5)18-6/h12H,7-10H2,1-6H3,(H,15,16)
InChIKeySEYNXLDHKKMNLK-UHFFFAOYSA-N
XLogP3.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(7-Carboxy-5,5-dimethylheptoxy)-4,4-dimethyloctanoic acid
CID 11256885
5-Ethyl-5-hexoxycarbonylheptanoic acid
CID 53709350
Methyl 9,12-bis(dimethoxymethyl)stearate
CID 129726992
(2R,4R)-8-ethoxy-2,4-dimethyl-8-oxooctanoic acid
CID 134963913
Methyl 1-(2,2-dimethoxyethyl)cyclohexane-1-carboxylate
CID 121001274
7-Methoxy-5,6,6-trimethyl-7-oxoheptanoic acid
CID 18415602
8-Methoxy-7,7-dimethyl-8-oxooctanoic acid
CID 18673401
2,2,5,5-Tetraethylhexanedioic acid
CID 19090996
2-Ethyl-2,5-dimethyl-5-propylhexanedioic acid
CID 19091011
2,2-Dimethyl-5,5-dipropylhexanedioic acid
CID 19091018
2,5-Dimethyl-2,5-dipropylhexanedioic acid
CID 19091021
2,2,5-Trimethyl-5-propylhexanedioic acid
CID 19091085

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid?
The IUPAC name of 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid (CID 18716746) is 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid.
What is the SMILES notation for 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid?
The canonical SMILES for 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid is CCC(C)(CCC(C)(CC)C(OC)OC)C(=O)O.
What is the InChIKey of 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid?
The InChIKey is SEYNXLDHKKMNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-7-13(3,11(15)16)9-10-14(4,8-2)12(17-5)18-6/h12H,7-10H2,1-6H3,(H,15,16).
What are the key properties of 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid?
5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid has a molecular weight of 260.37 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-2-ethyl-2,5-dimethylheptanoic acid is sourced from PubChem (CID 18716746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).