acetic acid;tert-butylcyclohexane

C12H24O2 — CID 69013500

IUPACacetic acid;tert-butylcyclohexane
SMILESCC(=O)O.CC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20.C2H4O2/c1-10(2,3)9-7-5-4-6-8-9;1-2(3)4/h9H,4-8H2,1-3H3;1H3,(H,3,4)
InChIKeyIMCLIWACKXIDDY-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.70
Rot. Bonds

About acetic acid;tert-butylcyclohexane

acetic acid;tert-butylcyclohexane (PubChem CID 69013500) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is acetic acid;tert-butylcyclohexane.

Molecular Properties

Compound Nameacetic acid;tert-butylcyclohexane
PubChem CID69013500
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nameacetic acid;tert-butylcyclohexane
SMILESCC(=O)O.CC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20.C2H4O2/c1-10(2,3)9-7-5-4-6-8-9;1-2(3)4/h9H,4-8H2,1-3H3;1H3,(H,3,4)
InChIKeyIMCLIWACKXIDDY-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butylcyclopentadecane
CID 164774831
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
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CID 159596797
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
3-cyclohexyl-3-methylbutan-2-one
CID 20782049
tert-butylcyclohexane;sulfuryl dichloride
CID 175416889
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
acetic acid;cyclohexylcyclohexane
CID 67293698
1,4-ditert-butylcycloheptane
CID 58579546
acetic acid;cyclohexanol
CID 19963759
1,1-dicyclohexyl-1-hydroxypropan-2-one
CID 102386350

Frequently Asked Questions

What is the IUPAC name of acetic acid;tert-butylcyclohexane?
The IUPAC name of acetic acid;tert-butylcyclohexane (CID 69013500) is acetic acid;tert-butylcyclohexane.
What is the SMILES notation for acetic acid;tert-butylcyclohexane?
The canonical SMILES for acetic acid;tert-butylcyclohexane is CC(=O)O.CC(C)(C)C1CCCCC1.
What is the InChIKey of acetic acid;tert-butylcyclohexane?
The InChIKey is IMCLIWACKXIDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C2H4O2/c1-10(2,3)9-7-5-4-6-8-9;1-2(3)4/h9H,4-8H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;tert-butylcyclohexane?
acetic acid;tert-butylcyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tert-butylcyclohexane is sourced from PubChem (CID 69013500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).