(E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol

C11H20O2 — CID 13440544

IUPAC(E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol
SMILESC/C(=C\C(O)C1CCCCC1)CO
InChIInChI=1S/C11H20O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h7,10-13H,2-6,8H2,1H3/b9-7+
InChIKeyNGRSHAINMXMPIE-VQHVLOKHSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds3

About (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol

(E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol (PubChem CID 13440544) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol
PubChem CID13440544
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol
SMILESC/C(=C\C(O)C1CCCCC1)CO
InChIInChI=1S/C11H20O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h7,10-13H,2-6,8H2,1H3/b9-7+
InChIKeyNGRSHAINMXMPIE-VQHVLOKHSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
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 (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol?
The IUPAC name of (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol (CID 13440544) is (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol.
What is the SMILES notation for (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol?
The canonical SMILES for (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol is C/C(=C\C(O)C1CCCCC1)CO.
What is the InChIKey of (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol?
The InChIKey is NGRSHAINMXMPIE-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h7,10-13H,2-6,8H2,1H3/b9-7+.
What are the key properties of (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol?
(E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol has a molecular weight of 184.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-3-methylbut-2-ene-1,4-diol is sourced from PubChem (CID 13440544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).