1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol

C17H27N2O+ — CID 88932002

IUPAC1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol
SMILESC=C(O)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-14(20)17-18(15-8-4-2-5-9-15)12-13-19(17)16-10-6-3-7-11-16/h12-13,15-16H,1-11H2/p+1
InChIKeyANDFVDDAXAHNTO-UHFFFAOYSA-O
MW275.42 g/mol
LogP4.31
Rot. Bonds3

About 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol

1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol (PubChem CID 88932002) has the molecular formula C17H27N2O+ and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol.

Molecular Properties

Compound Name1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol
PubChem CID88932002
Molecular FormulaC17H27N2O+
Molecular Weight275.42 g/mol
Exact Mass275.21
IUPAC Name1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol
SMILESC=C(O)c1n(C2CCCCC2)cc[n+]1C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-14(20)17-18(15-8-4-2-5-9-15)12-13-19(17)16-10-6-3-7-11-16/h12-13,15-16H,1-11H2/p+1
InChIKeyANDFVDDAXAHNTO-UHFFFAOYSA-O
XLogP4.31
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol?
The IUPAC name of 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol (CID 88932002) is 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol.
What is the SMILES notation for 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol?
The canonical SMILES for 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol is C=C(O)c1n(C2CCCCC2)cc[n+]1C1CCCCC1.
What is the InChIKey of 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol?
The InChIKey is ANDFVDDAXAHNTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N2O/c1-14(20)17-18(15-8-4-2-5-9-15)12-13-19(17)16-10-6-3-7-11-16/h12-13,15-16H,1-11H2/p+1.
What are the key properties of 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol?
1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol has a molecular weight of 275.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dicyclohexylimidazol-1-ium-2-yl)ethenol is sourced from PubChem (CID 88932002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).