2-(1-tert-butylcyclopropyl)terephthalic acid

C15H18O4 — CID 67914061

IUPAC2-(1-tert-butylcyclopropyl)terephthalic acid
SMILESCC(C)(C)C1(c2cc(C(=O)O)ccc2C(=O)O)CC1
InChIInChI=1S/C15H18O4/c1-14(2,3)15(6-7-15)11-8-9(12(16)17)4-5-10(11)13(18)19/h4-5,8H,6-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBPDDDGDCLTUNJY-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.16
Rot. Bonds3

About 2-(1-tert-butylcyclopropyl)terephthalic acid

2-(1-tert-butylcyclopropyl)terephthalic acid (PubChem CID 67914061) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1-tert-butylcyclopropyl)terephthalic acid.

Molecular Properties

Compound Name2-(1-tert-butylcyclopropyl)terephthalic acid
PubChem CID67914061
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-(1-tert-butylcyclopropyl)terephthalic acid
SMILESCC(C)(C)C1(c2cc(C(=O)O)ccc2C(=O)O)CC1
InChIInChI=1S/C15H18O4/c1-14(2,3)15(6-7-15)11-8-9(12(16)17)4-5-10(11)13(18)19/h4-5,8H,6-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBPDDDGDCLTUNJY-UHFFFAOYSA-N
XLogP3.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylcyclopropyl)terephthalic acid?
The IUPAC name of 2-(1-tert-butylcyclopropyl)terephthalic acid (CID 67914061) is 2-(1-tert-butylcyclopropyl)terephthalic acid.
What is the SMILES notation for 2-(1-tert-butylcyclopropyl)terephthalic acid?
The canonical SMILES for 2-(1-tert-butylcyclopropyl)terephthalic acid is CC(C)(C)C1(c2cc(C(=O)O)ccc2C(=O)O)CC1.
What is the InChIKey of 2-(1-tert-butylcyclopropyl)terephthalic acid?
The InChIKey is BPDDDGDCLTUNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-14(2,3)15(6-7-15)11-8-9(12(16)17)4-5-10(11)13(18)19/h4-5,8H,6-7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-(1-tert-butylcyclopropyl)terephthalic acid?
2-(1-tert-butylcyclopropyl)terephthalic acid has a molecular weight of 262.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylcyclopropyl)terephthalic acid is sourced from PubChem (CID 67914061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).