2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid

C10H18O3 — CID 65496990

IUPAC2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid
SMILESCCC(C)OCC1(CC(=O)O)CC1
InChIInChI=1S/C10H18O3/c1-3-8(2)13-7-10(4-5-10)6-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyWNBSGCTYSRQBCS-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.06
Rot. Bonds6

About 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid

2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid (PubChem CID 65496990) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid
PubChem CID65496990
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid
SMILESCCC(C)OCC1(CC(=O)O)CC1
InChIInChI=1S/C10H18O3/c1-3-8(2)13-7-10(4-5-10)6-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyWNBSGCTYSRQBCS-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid (CID 65496990) is 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid is CCC(C)OCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid?
The InChIKey is WNBSGCTYSRQBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-8(2)13-7-10(4-5-10)6-9(11)12/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid?
2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid has a molecular weight of 186.25 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65496990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).