5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid

C14H24O5 — CID 169026744

IUPAC5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCOCCCC1(OC=O)CC1)C(=O)O
InChIInChI=1S/C14H24O5/c1-13(2,12(16)17)5-3-9-18-10-4-6-14(7-8-14)19-11-15/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyUSZVWVBRLPSCOI-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.38
Rot. Bonds11

About 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid

5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid (PubChem CID 169026744) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid
PubChem CID169026744
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCOCCCC1(OC=O)CC1)C(=O)O
InChIInChI=1S/C14H24O5/c1-13(2,12(16)17)5-3-9-18-10-4-6-14(7-8-14)19-11-15/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyUSZVWVBRLPSCOI-UHFFFAOYSA-N
XLogP2.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid (CID 169026744) is 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid is CC(C)(CCCOCCCC1(OC=O)CC1)C(=O)O.
What is the InChIKey of 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid?
The InChIKey is USZVWVBRLPSCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-13(2,12(16)17)5-3-9-18-10-4-6-14(7-8-14)19-11-15/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid?
5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 2.38, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-formyloxycyclopropyl)propoxy]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 169026744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).