2-cyclohexylacetic acid;sulfuric acid

C8H18O10S2 — CID 174433718

IUPAC2-cyclohexylacetic acid;sulfuric acid
SMILESO=C(O)CC1CCCCC1.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C8H14O2.2H2O4S/c9-8(10)6-7-4-2-1-3-5-7;2*1-5(2,3)4/h7H,1-6H2,(H,9,10);2*(H2,1,2,3,4)
InChIKeyKFNMJRUNJRUFJF-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.74
Rot. Bonds2

About 2-cyclohexylacetic acid;sulfuric acid

2-cyclohexylacetic acid;sulfuric acid (PubChem CID 174433718) has the molecular formula C8H18O10S2 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-cyclohexylacetic acid;sulfuric acid.

Molecular Properties

Compound Name2-cyclohexylacetic acid;sulfuric acid
PubChem CID174433718
Molecular FormulaC8H18O10S2
Molecular Weight338.36 g/mol
Exact Mass338.03
IUPAC Name2-cyclohexylacetic acid;sulfuric acid
SMILESO=C(O)CC1CCCCC1.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C8H14O2.2H2O4S/c9-8(10)6-7-4-2-1-3-5-7;2*1-5(2,3)4/h7H,1-6H2,(H,9,10);2*(H2,1,2,3,4)
InChIKeyKFNMJRUNJRUFJF-UHFFFAOYSA-N
XLogP0.74
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
cyclohexylmethanol;sulfuric acid
CID 71362926
2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid
CID 134457154
1-cyclohexyl-3-methylsulfonylpropan-2-one
CID 115601525
3-cyclohexyl-2-oxopropanoic acid
CID 160850076
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine
CID 142535514
2-(phosphepan-3-yl)acetic acid
CID 141089155
2-spiro[5.5]undecan-3-ylacetic acid
CID 83909560
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylacetic acid;sulfuric acid?
The IUPAC name of 2-cyclohexylacetic acid;sulfuric acid (CID 174433718) is 2-cyclohexylacetic acid;sulfuric acid.
What is the SMILES notation for 2-cyclohexylacetic acid;sulfuric acid?
The canonical SMILES for 2-cyclohexylacetic acid;sulfuric acid is O=C(O)CC1CCCCC1.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of 2-cyclohexylacetic acid;sulfuric acid?
The InChIKey is KFNMJRUNJRUFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.2H2O4S/c9-8(10)6-7-4-2-1-3-5-7;2*1-5(2,3)4/h7H,1-6H2,(H,9,10);2*(H2,1,2,3,4).
What are the key properties of 2-cyclohexylacetic acid;sulfuric acid?
2-cyclohexylacetic acid;sulfuric acid has a molecular weight of 338.36 g/mol, XLogP of 0.74, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylacetic acid;sulfuric acid is sourced from PubChem (CID 174433718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).