tetramethyl tetradecane-1,4,11,14-tetracarboxylate

C22H38O8 — CID 142703786

IUPACtetramethyl tetradecane-1,4,11,14-tetracarboxylate
SMILESCOC(=O)CCCC(CCCCCCC(CCCC(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C22H38O8/c1-27-19(23)15-9-13-17(21(25)29-3)11-7-5-6-8-12-18(22(26)30-4)14-10-16-20(24)28-2/h17-18H,5-16H2,1-4H3
InChIKeyOIUJZOHOGGAION-UHFFFAOYSA-N
MW430.54 g/mol
LogP3.59
Rot. Bonds17

About tetramethyl tetradecane-1,4,11,14-tetracarboxylate

tetramethyl tetradecane-1,4,11,14-tetracarboxylate (PubChem CID 142703786) has the molecular formula C22H38O8 and a molecular weight of 430.54 g/mol. Its IUPAC name is tetramethyl tetradecane-1,4,11,14-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl tetradecane-1,4,11,14-tetracarboxylate
PubChem CID142703786
Molecular FormulaC22H38O8
Molecular Weight430.54 g/mol
Exact Mass430.26
IUPAC Nametetramethyl tetradecane-1,4,11,14-tetracarboxylate
SMILESCOC(=O)CCCC(CCCCCCC(CCCC(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C22H38O8/c1-27-19(23)15-9-13-17(21(25)29-3)11-7-5-6-8-12-18(22(26)30-4)14-10-16-20(24)28-2/h17-18H,5-16H2,1-4H3
InChIKeyOIUJZOHOGGAION-UHFFFAOYSA-N
XLogP3.59
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trimethyl heptadecane-1,7,17-tricarboxylate
CID 102526998
dimethyl 2-tetradecylnonanedioate
CID 4222825
dimethyl (2S)-2-tetradecylnonanedioate
CID 98231179
trimethyl 1-methylhexadecane-1,8,16-tricarboxylate
CID 567053
dimethyl 2-ethylnonanedioate
CID 87129030
dimethyl 2-ethyloctadecanedioate
CID 87117347
dimethyl 2-(4-oxobutyl)heptanedioate
CID 141336687
dimethyl 2,6-dipropyldecanedioate
CID 90334205
methyl 2-undecyltridecanoate
CID 176610383
dimethyl 2-methylnonanedioate
CID 560319
dimethyl 2-hydroxyhexanedioate
CID 13448463
dimethyl 2-(2,2-diisocyanatoethyl)octanedioate
CID 88651852

Frequently Asked Questions

What is the IUPAC name of tetramethyl tetradecane-1,4,11,14-tetracarboxylate?
The IUPAC name of tetramethyl tetradecane-1,4,11,14-tetracarboxylate (CID 142703786) is tetramethyl tetradecane-1,4,11,14-tetracarboxylate.
What is the SMILES notation for tetramethyl tetradecane-1,4,11,14-tetracarboxylate?
The canonical SMILES for tetramethyl tetradecane-1,4,11,14-tetracarboxylate is COC(=O)CCCC(CCCCCCC(CCCC(=O)OC)C(=O)OC)C(=O)OC.
What is the InChIKey of tetramethyl tetradecane-1,4,11,14-tetracarboxylate?
The InChIKey is OIUJZOHOGGAION-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O8/c1-27-19(23)15-9-13-17(21(25)29-3)11-7-5-6-8-12-18(22(26)30-4)14-10-16-20(24)28-2/h17-18H,5-16H2,1-4H3.
What are the key properties of tetramethyl tetradecane-1,4,11,14-tetracarboxylate?
tetramethyl tetradecane-1,4,11,14-tetracarboxylate has a molecular weight of 430.54 g/mol, XLogP of 3.59, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl tetradecane-1,4,11,14-tetracarboxylate is sourced from PubChem (CID 142703786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).