2-cyclohexyloxybut-2-ene-1,4-diol

C10H18O3 — CID 68951576

IUPAC2-cyclohexyloxybut-2-ene-1,4-diol
SMILESOCC=C(CO)OC1CCCCC1
InChIInChI=1S/C10H18O3/c11-7-6-10(8-12)13-9-4-2-1-3-5-9/h6,9,11-12H,1-5,7-8H2
InChIKeyBOKFTVMTBBNPRI-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.20
Rot. Bonds4

About 2-cyclohexyloxybut-2-ene-1,4-diol

2-cyclohexyloxybut-2-ene-1,4-diol (PubChem CID 68951576) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-cyclohexyloxybut-2-ene-1,4-diol.

Molecular Properties

Compound Name2-cyclohexyloxybut-2-ene-1,4-diol
PubChem CID68951576
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-cyclohexyloxybut-2-ene-1,4-diol
SMILESOCC=C(CO)OC1CCCCC1
InChIInChI=1S/C10H18O3/c11-7-6-10(8-12)13-9-4-2-1-3-5-9/h6,9,11-12H,1-5,7-8H2
InChIKeyBOKFTVMTBBNPRI-UHFFFAOYSA-N
XLogP1.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxybut-2-ene-1,4-diol?
The IUPAC name of 2-cyclohexyloxybut-2-ene-1,4-diol (CID 68951576) is 2-cyclohexyloxybut-2-ene-1,4-diol.
What is the SMILES notation for 2-cyclohexyloxybut-2-ene-1,4-diol?
The canonical SMILES for 2-cyclohexyloxybut-2-ene-1,4-diol is OCC=C(CO)OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxybut-2-ene-1,4-diol?
The InChIKey is BOKFTVMTBBNPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-7-6-10(8-12)13-9-4-2-1-3-5-9/h6,9,11-12H,1-5,7-8H2.
What are the key properties of 2-cyclohexyloxybut-2-ene-1,4-diol?
2-cyclohexyloxybut-2-ene-1,4-diol has a molecular weight of 186.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxybut-2-ene-1,4-diol is sourced from PubChem (CID 68951576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).