benzoic acid;methylcyclopentane

C20H24O4 — CID 68907828

IUPACbenzoic acid;methylcyclopentane
SMILESCC1CCCC1.O=C(O)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/2C7H6O2.C6H12/c2*8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-6/h2*1-5H,(H,8,9);6H,2-5H2,1H3
InChIKeyRUDSZDWIBYXTGZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.97
Rot. Bonds2

About benzoic acid;methylcyclopentane

benzoic acid;methylcyclopentane (PubChem CID 68907828) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is benzoic acid;methylcyclopentane.

Molecular Properties

Compound Namebenzoic acid;methylcyclopentane
PubChem CID68907828
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Namebenzoic acid;methylcyclopentane
SMILESCC1CCCC1.O=C(O)c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/2C7H6O2.C6H12/c2*8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-6/h2*1-5H,(H,8,9);6H,2-5H2,1H3
InChIKeyRUDSZDWIBYXTGZ-UHFFFAOYSA-N
XLogP4.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;methylcyclopentane?
The IUPAC name of benzoic acid;methylcyclopentane (CID 68907828) is benzoic acid;methylcyclopentane.
What is the SMILES notation for benzoic acid;methylcyclopentane?
The canonical SMILES for benzoic acid;methylcyclopentane is CC1CCCC1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;methylcyclopentane?
The InChIKey is RUDSZDWIBYXTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2.C6H12/c2*8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-6/h2*1-5H,(H,8,9);6H,2-5H2,1H3.
What are the key properties of benzoic acid;methylcyclopentane?
benzoic acid;methylcyclopentane has a molecular weight of 328.41 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;methylcyclopentane is sourced from PubChem (CID 68907828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).