14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid

C16H30O7 — CID 23297351

IUPAC14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CCOCCOCCOCCOCCO1
InChIInChI=1S/C16H30O7/c1-15(2,3)16(14(17)18)4-5-19-6-7-20-8-9-21-10-11-22-12-13-23-16/h4-13H2,1-3H3,(H,17,18)
InChIKeyMKGTYLLZUCYINP-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.34
Rot. Bonds1

About 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid

14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid (PubChem CID 23297351) has the molecular formula C16H30O7 and a molecular weight of 334.41 g/mol. Its IUPAC name is 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid.

Molecular Properties

Compound Name14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid
PubChem CID23297351
Molecular FormulaC16H30O7
Molecular Weight334.41 g/mol
Exact Mass334.20
IUPAC Name14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid
SMILESCC(C)(C)C1(C(=O)O)CCOCCOCCOCCOCCO1
InChIInChI=1S/C16H30O7/c1-15(2,3)16(14(17)18)4-5-19-6-7-20-8-9-21-10-11-22-12-13-23-16/h4-13H2,1-3H3,(H,17,18)
InChIKeyMKGTYLLZUCYINP-UHFFFAOYSA-N
XLogP1.34
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044
1,4,7,10-tetraoxacyclopentadecane-13,13-dicarboxylic acid
CID 19822377
4-(1,1-difluoroethyl)oxane-4-carboxylic acid
CID 84773053
sodium;acetic acid;hydride;oxirane
CID 173167561
1,4-dioxane;propan-2-one
CID 22407776
acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol
CID 71403215
2,3-diamino-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3-dicarboxylic acid
CID 19822395
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
4-[(2-methylpropan-2-yl)oxy]oxepane-4-carboxylic acid
CID 115029610
2-tert-butylsulfanyl-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65133807
4-(4,4-dimethylpentyl)oxane-4-carboxylic acid
CID 58052435
4-ethoxyoxane-4-carboxylic acid
CID 78969464

Frequently Asked Questions

What is the IUPAC name of 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid?
The IUPAC name of 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid (CID 23297351) is 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid.
What is the SMILES notation for 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid?
The canonical SMILES for 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid is CC(C)(C)C1(C(=O)O)CCOCCOCCOCCOCCO1.
What is the InChIKey of 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid?
The InChIKey is MKGTYLLZUCYINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O7/c1-15(2,3)16(14(17)18)4-5-19-6-7-20-8-9-21-10-11-22-12-13-23-16/h4-13H2,1-3H3,(H,17,18).
What are the key properties of 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid?
14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid has a molecular weight of 334.41 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-tert-butyl-1,4,7,10,13-pentaoxacyclohexadecane-14-carboxylic acid is sourced from PubChem (CID 23297351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).