5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate

C14H26O4 — CID 102123009

IUPAC5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate
SMILESCCOC(=O)CC(CC)C(CC)(CC)C(=O)OC
InChIInChI=1S/C14H26O4/c1-6-11(10-12(15)18-9-4)14(7-2,8-3)13(16)17-5/h11H,6-10H2,1-5H3
InChIKeyUJXYVVVUEJBLOV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.95
Rot. Bonds8

About 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate

5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate (PubChem CID 102123009) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate
PubChem CID102123009
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate
SMILESCCOC(=O)CC(CC)C(CC)(CC)C(=O)OC
InChIInChI=1S/C14H26O4/c1-6-11(10-12(15)18-9-4)14(7-2,8-3)13(16)17-5/h11H,6-10H2,1-5H3
InChIKeyUJXYVVVUEJBLOV-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[cyano(dimethoxy)methyl]pentanoate
CID 10998776
methyl 4-amino-3-ethyl-4-methylpentanoate
CID 66099233
ethyl 3-iodopropanoate
CID 10911297
ethyl (3R)-3-methylpentanoate
CID 7567160
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
silyl 2,2,3-triethylhexanoate
CID 173470037
4-O-ethyl 1-O-methyl 3-ethyl-2,2-dimethylbutanedioate
CID 59124916
3-ethoxycarbonyl-2,3-diethylpentanoic acid
CID 89049085
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
CID 119097783
CID 119097783
ethyl 3-(dimethylamino)butanoate
CID 3020377

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate?
The IUPAC name of 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate (CID 102123009) is 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate is CCOC(=O)CC(CC)C(CC)(CC)C(=O)OC.
What is the InChIKey of 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate?
The InChIKey is UJXYVVVUEJBLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-6-11(10-12(15)18-9-4)14(7-2,8-3)13(16)17-5/h11H,6-10H2,1-5H3.
What are the key properties of 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate?
5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate has a molecular weight of 258.36 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate is sourced from PubChem (CID 102123009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).