(E)-1-cyclohexylbut-2-en-1-ol

C10H18O — CID 5358342

IUPAC(E)-1-cyclohexylbut-2-en-1-ol
SMILESC/C=C/C(O)C1CCCCC1
InChIInChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,6,9-11H,3-5,7-8H2,1H3/b6-2+
InChIKeyWZIIBXRIIUAFOT-QHHAFSJGSA-N
MW154.25 g/mol
LogP2.50
Rot. Bonds2

About (E)-1-cyclohexylbut-2-en-1-ol

(E)-1-cyclohexylbut-2-en-1-ol (PubChem CID 5358342) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-1-cyclohexylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-cyclohexylbut-2-en-1-ol
PubChem CID5358342
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-1-cyclohexylbut-2-en-1-ol
SMILESC/C=C/C(O)C1CCCCC1
InChIInChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,6,9-11H,3-5,7-8H2,1H3/b6-2+
InChIKeyWZIIBXRIIUAFOT-QHHAFSJGSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-1-cyclohexylbut-2-en-1-ol?
The IUPAC name of (E)-1-cyclohexylbut-2-en-1-ol (CID 5358342) is (E)-1-cyclohexylbut-2-en-1-ol.
What is the SMILES notation for (E)-1-cyclohexylbut-2-en-1-ol?
The canonical SMILES for (E)-1-cyclohexylbut-2-en-1-ol is C/C=C/C(O)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexylbut-2-en-1-ol?
The InChIKey is WZIIBXRIIUAFOT-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,6,9-11H,3-5,7-8H2,1H3/b6-2+.
What are the key properties of (E)-1-cyclohexylbut-2-en-1-ol?
(E)-1-cyclohexylbut-2-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexylbut-2-en-1-ol is sourced from PubChem (CID 5358342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).