acetic acid;cyclohexylcyclohexane

C14H26O2 — CID 67293698

IUPACacetic acid;cyclohexylcyclohexane
SMILESC1CCC(C2CCCCC2)CC1.CC(=O)O
InChIInChI=1S/C12H22.C2H4O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4/h11-12H,1-10H2;1H3,(H,3,4)
InChIKeyJBCJOAKXCJUMEO-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.24
Rot. Bonds1

About acetic acid;cyclohexylcyclohexane

acetic acid;cyclohexylcyclohexane (PubChem CID 67293698) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is acetic acid;cyclohexylcyclohexane.

Molecular Properties

Compound Nameacetic acid;cyclohexylcyclohexane
PubChem CID67293698
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameacetic acid;cyclohexylcyclohexane
SMILESC1CCC(C2CCCCC2)CC1.CC(=O)O
InChIInChI=1S/C12H22.C2H4O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4/h11-12H,1-10H2;1H3,(H,3,4)
InChIKeyJBCJOAKXCJUMEO-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
acetic acid;bicyclo[2.2.0]hexane;ethane
CID 123577284
acetic acid;cyclohexanol
CID 19963759
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid
CID 174429341
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528
acetic acid;cyclobutane;phosphane
CID 174489906
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclononylcycloicosane
CID 123187062
cyclohexylcycloheptane
CID 524589
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
acetic acid;cyclohexane-1,2-diamine
CID 67321744
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522

Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclohexylcyclohexane?
The IUPAC name of acetic acid;cyclohexylcyclohexane (CID 67293698) is acetic acid;cyclohexylcyclohexane.
What is the SMILES notation for acetic acid;cyclohexylcyclohexane?
The canonical SMILES for acetic acid;cyclohexylcyclohexane is C1CCC(C2CCCCC2)CC1.CC(=O)O.
What is the InChIKey of acetic acid;cyclohexylcyclohexane?
The InChIKey is JBCJOAKXCJUMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C2H4O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2(3)4/h11-12H,1-10H2;1H3,(H,3,4).
What are the key properties of acetic acid;cyclohexylcyclohexane?
acetic acid;cyclohexylcyclohexane has a molecular weight of 226.36 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclohexylcyclohexane is sourced from PubChem (CID 67293698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).