2-(1-cycloheptyloxycyclobutyl)acetic acid

C13H22O3 — CID 103272679

IUPAC2-(1-cycloheptyloxycyclobutyl)acetic acid
SMILESO=C(O)CC1(OC2CCCCCC2)CCC1
InChIInChI=1S/C13H22O3/c14-12(15)10-13(8-5-9-13)16-11-6-3-1-2-4-7-11/h11H,1-10H2,(H,14,15)
InChIKeyJKQZQFNXPHWADX-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.12
Rot. Bonds4

About 2-(1-cycloheptyloxycyclobutyl)acetic acid

2-(1-cycloheptyloxycyclobutyl)acetic acid (PubChem CID 103272679) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(1-cycloheptyloxycyclobutyl)acetic acid.

Molecular Properties

Compound Name2-(1-cycloheptyloxycyclobutyl)acetic acid
PubChem CID103272679
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-(1-cycloheptyloxycyclobutyl)acetic acid
SMILESO=C(O)CC1(OC2CCCCCC2)CCC1
InChIInChI=1S/C13H22O3/c14-12(15)10-13(8-5-9-13)16-11-6-3-1-2-4-7-11/h11H,1-10H2,(H,14,15)
InChIKeyJKQZQFNXPHWADX-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cycloheptyloxycyclobutyl)acetic acid?
The IUPAC name of 2-(1-cycloheptyloxycyclobutyl)acetic acid (CID 103272679) is 2-(1-cycloheptyloxycyclobutyl)acetic acid.
What is the SMILES notation for 2-(1-cycloheptyloxycyclobutyl)acetic acid?
The canonical SMILES for 2-(1-cycloheptyloxycyclobutyl)acetic acid is O=C(O)CC1(OC2CCCCCC2)CCC1.
What is the InChIKey of 2-(1-cycloheptyloxycyclobutyl)acetic acid?
The InChIKey is JKQZQFNXPHWADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c14-12(15)10-13(8-5-9-13)16-11-6-3-1-2-4-7-11/h11H,1-10H2,(H,14,15).
What are the key properties of 2-(1-cycloheptyloxycyclobutyl)acetic acid?
2-(1-cycloheptyloxycyclobutyl)acetic acid has a molecular weight of 226.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cycloheptyloxycyclobutyl)acetic acid is sourced from PubChem (CID 103272679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).