2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid

C10H18O3S — CID 65442486

IUPAC2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid
SMILESCOCC(C)SCC1(CC(=O)O)CC1
InChIInChI=1S/C10H18O3S/c1-8(6-13-2)14-7-10(3-4-10)5-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyQUYCGHIZTCFDHM-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.01
Rot. Bonds7

About 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid

2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid (PubChem CID 65442486) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid
PubChem CID65442486
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid
SMILESCOCC(C)SCC1(CC(=O)O)CC1
InChIInChI=1S/C10H18O3S/c1-8(6-13-2)14-7-10(3-4-10)5-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyQUYCGHIZTCFDHM-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid (CID 65442486) is 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid is COCC(C)SCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid?
The InChIKey is QUYCGHIZTCFDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-8(6-13-2)14-7-10(3-4-10)5-9(11)12/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid?
2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid has a molecular weight of 218.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxypropan-2-ylsulfanylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65442486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).