2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid

C14H24O5S — CID 114621387

IUPAC2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESCC1(C)CC(S(=O)(=O)CC2(CC(=O)O)CC2)C(C)(C)O1
InChIInChI=1S/C14H24O5S/c1-12(2)7-10(13(3,4)19-12)20(17,18)9-14(5-6-14)8-11(15)16/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyDPAPHOYVSDWIKV-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid

2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid (PubChem CID 114621387) has the molecular formula C14H24O5S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid
PubChem CID114621387
Molecular FormulaC14H24O5S
Molecular Weight304.41 g/mol
Exact Mass304.13
IUPAC Name2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESCC1(C)CC(S(=O)(=O)CC2(CC(=O)O)CC2)C(C)(C)O1
InChIInChI=1S/C14H24O5S/c1-12(2)7-10(13(3,4)19-12)20(17,18)9-14(5-6-14)8-11(15)16/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyDPAPHOYVSDWIKV-UHFFFAOYSA-N
XLogP2.00
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid (CID 114621387) is 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid is CC1(C)CC(S(=O)(=O)CC2(CC(=O)O)CC2)C(C)(C)O1.
What is the InChIKey of 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid?
The InChIKey is DPAPHOYVSDWIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5S/c1-12(2)7-10(13(3,4)19-12)20(17,18)9-14(5-6-14)8-11(15)16/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid?
2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid has a molecular weight of 304.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 114621387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).