acetic acid;2-cyclohexylethanol

C10H20O3 — CID 69234859

IUPACacetic acid;2-cyclohexylethanol
SMILESCC(=O)O.OCCC1CCCCC1
InChIInChI=1S/C8H16O.C2H4O2/c9-7-6-8-4-2-1-3-5-8;1-2(3)4/h8-9H,1-7H2;1H3,(H,3,4)
InChIKeySUNXAMWCHMDISP-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.04
Rot. Bonds2

About acetic acid;2-cyclohexylethanol

acetic acid;2-cyclohexylethanol (PubChem CID 69234859) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is acetic acid;2-cyclohexylethanol.

Molecular Properties

Compound Nameacetic acid;2-cyclohexylethanol
PubChem CID69234859
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameacetic acid;2-cyclohexylethanol
SMILESCC(=O)O.OCCC1CCCCC1
InChIInChI=1S/C8H16O.C2H4O2/c9-7-6-8-4-2-1-3-5-8;1-2(3)4/h8-9H,1-7H2;1H3,(H,3,4)
InChIKeySUNXAMWCHMDISP-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-cyclohexylethanol?
The IUPAC name of acetic acid;2-cyclohexylethanol (CID 69234859) is acetic acid;2-cyclohexylethanol.
What is the SMILES notation for acetic acid;2-cyclohexylethanol?
The canonical SMILES for acetic acid;2-cyclohexylethanol is CC(=O)O.OCCC1CCCCC1.
What is the InChIKey of acetic acid;2-cyclohexylethanol?
The InChIKey is SUNXAMWCHMDISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H4O2/c9-7-6-8-4-2-1-3-5-8;1-2(3)4/h8-9H,1-7H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-cyclohexylethanol?
acetic acid;2-cyclohexylethanol has a molecular weight of 188.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-cyclohexylethanol is sourced from PubChem (CID 69234859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).