1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid

C14H22O5 — CID 155770785

IUPAC1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid
SMILESO=COC1(CCCOCCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C14H22O5/c15-11-19-14(7-8-14)4-2-10-18-9-1-3-13(5-6-13)12(16)17/h11H,1-10H2,(H,16,17)
InChIKeyGGXIXUWPYPPGMY-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.13
Rot. Bonds11

About 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid

1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid (PubChem CID 155770785) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid
PubChem CID155770785
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid
SMILESO=COC1(CCCOCCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C14H22O5/c15-11-19-14(7-8-14)4-2-10-18-9-1-3-13(5-6-13)12(16)17/h11H,1-10H2,(H,16,17)
InChIKeyGGXIXUWPYPPGMY-UHFFFAOYSA-N
XLogP2.13
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.13
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 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid (CID 155770785) is 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid is O=COC1(CCCOCCCC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid?
The InChIKey is GGXIXUWPYPPGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c15-11-19-14(7-8-14)4-2-10-18-9-1-3-13(5-6-13)12(16)17/h11H,1-10H2,(H,16,17).
What are the key properties of 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid?
1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.32 g/mol, XLogP of 2.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155770785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).