3-methoxycarbonylcubane-1-carboxylic acid

C11H10O4 — CID 14965922

IUPAC3-methoxycarbonylcubane-1-carboxylic acid
SMILESCOC(=O)C12C3C4C5C3C1C5(C(=O)O)C42
InChIInChI=1S/C11H10O4/c1-15-9(14)11-5-2-4-3(5)7(11)10(4,6(2)11)8(12)13/h2-7H,1H3,(H,12,13)
InChIKeyAHKHDYQFYSCVNG-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.02
Rot. Bonds2

About 3-methoxycarbonylcubane-1-carboxylic acid

3-methoxycarbonylcubane-1-carboxylic acid (PubChem CID 14965922) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-methoxycarbonylcubane-1-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonylcubane-1-carboxylic acid
PubChem CID14965922
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name3-methoxycarbonylcubane-1-carboxylic acid
SMILESCOC(=O)C12C3C4C5C3C1C5(C(=O)O)C42
InChIInChI=1S/C11H10O4/c1-15-9(14)11-5-2-4-3(5)7(11)10(4,6(2)11)8(12)13/h2-7H,1H3,(H,12,13)
InChIKeyAHKHDYQFYSCVNG-UHFFFAOYSA-N
XLogP-0.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonylcubane-1-carboxylic acid?
The IUPAC name of 3-methoxycarbonylcubane-1-carboxylic acid (CID 14965922) is 3-methoxycarbonylcubane-1-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonylcubane-1-carboxylic acid?
The canonical SMILES for 3-methoxycarbonylcubane-1-carboxylic acid is COC(=O)C12C3C4C5C3C1C5(C(=O)O)C42.
What is the InChIKey of 3-methoxycarbonylcubane-1-carboxylic acid?
The InChIKey is AHKHDYQFYSCVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-15-9(14)11-5-2-4-3(5)7(11)10(4,6(2)11)8(12)13/h2-7H,1H3,(H,12,13).
What are the key properties of 3-methoxycarbonylcubane-1-carboxylic acid?
3-methoxycarbonylcubane-1-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonylcubane-1-carboxylic acid is sourced from PubChem (CID 14965922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).