acetic acid;cyclohexanol

C8H16O3 — CID 19963759

IUPACacetic acid;cyclohexanol
SMILESCC(=O)O.OC1CCCCC1
InChIInChI=1S/C6H12O.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h6-7H,1-5H2;1H3,(H,3,4)
InChIKeyPZOLELDOFXBJDN-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.40
Rot. Bonds

About acetic acid;cyclohexanol

acetic acid;cyclohexanol (PubChem CID 19963759) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is acetic acid;cyclohexanol.

Molecular Properties

Compound Nameacetic acid;cyclohexanol
PubChem CID19963759
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameacetic acid;cyclohexanol
SMILESCC(=O)O.OC1CCCCC1
InChIInChI=1S/C6H12O.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h6-7H,1-5H2;1H3,(H,3,4)
InChIKeyPZOLELDOFXBJDN-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclohexanol?
The IUPAC name of acetic acid;cyclohexanol (CID 19963759) is acetic acid;cyclohexanol.
What is the SMILES notation for acetic acid;cyclohexanol?
The canonical SMILES for acetic acid;cyclohexanol is CC(=O)O.OC1CCCCC1.
What is the InChIKey of acetic acid;cyclohexanol?
The InChIKey is PZOLELDOFXBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h6-7H,1-5H2;1H3,(H,3,4).
What are the key properties of acetic acid;cyclohexanol?
acetic acid;cyclohexanol has a molecular weight of 160.21 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclohexanol is sourced from PubChem (CID 19963759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).