(Z)-1-cyclohexylbut-2-ene-1,4-diol

C10H18O2 — CID 13440550

IUPAC(Z)-1-cyclohexylbut-2-ene-1,4-diol
SMILESOC/C=C\C(O)C1CCCCC1
InChIInChI=1S/C10H18O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h4,7,9-12H,1-3,5-6,8H2/b7-4-
InChIKeyYSMHVTCHULFELD-DAXSKMNVSA-N
MW170.25 g/mol
LogP1.48
Rot. Bonds3

About (Z)-1-cyclohexylbut-2-ene-1,4-diol

(Z)-1-cyclohexylbut-2-ene-1,4-diol (PubChem CID 13440550) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z)-1-cyclohexylbut-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z)-1-cyclohexylbut-2-ene-1,4-diol
PubChem CID13440550
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z)-1-cyclohexylbut-2-ene-1,4-diol
SMILESOC/C=C\C(O)C1CCCCC1
InChIInChI=1S/C10H18O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h4,7,9-12H,1-3,5-6,8H2/b7-4-
InChIKeyYSMHVTCHULFELD-DAXSKMNVSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexylbut-2-ene-1,4-diol?
The IUPAC name of (Z)-1-cyclohexylbut-2-ene-1,4-diol (CID 13440550) is (Z)-1-cyclohexylbut-2-ene-1,4-diol.
What is the SMILES notation for (Z)-1-cyclohexylbut-2-ene-1,4-diol?
The canonical SMILES for (Z)-1-cyclohexylbut-2-ene-1,4-diol is OC/C=C\C(O)C1CCCCC1.
What is the InChIKey of (Z)-1-cyclohexylbut-2-ene-1,4-diol?
The InChIKey is YSMHVTCHULFELD-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H18O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h4,7,9-12H,1-3,5-6,8H2/b7-4-.
What are the key properties of (Z)-1-cyclohexylbut-2-ene-1,4-diol?
(Z)-1-cyclohexylbut-2-ene-1,4-diol has a molecular weight of 170.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexylbut-2-ene-1,4-diol is sourced from PubChem (CID 13440550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).