(Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol

C14H24N2O — CID 12769484

IUPAC(Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol
SMILESCC(C)(C)/C=C(/C(O)C(C)(C)C)n1ccnc1
InChIInChI=1S/C14H24N2O/c1-13(2,3)9-11(12(17)14(4,5)6)16-8-7-15-10-16/h7-10,12,17H,1-6H3/b11-9-
InChIKeyCDHAATSYJHEHKE-LUAWRHEFSA-N
MW236.36 g/mol
LogP3.18
Rot. Bonds2

About (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol

(Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol (PubChem CID 12769484) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol.

Molecular Properties

Compound Name(Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol
PubChem CID12769484
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol
SMILESCC(C)(C)/C=C(/C(O)C(C)(C)C)n1ccnc1
InChIInChI=1S/C14H24N2O/c1-13(2,3)9-11(12(17)14(4,5)6)16-8-7-15-10-16/h7-10,12,17H,1-6H3/b11-9-
InChIKeyCDHAATSYJHEHKE-LUAWRHEFSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol?
The IUPAC name of (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol (CID 12769484) is (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol.
What is the SMILES notation for (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol?
The canonical SMILES for (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol is CC(C)(C)/C=C(/C(O)C(C)(C)C)n1ccnc1.
What is the InChIKey of (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol?
The InChIKey is CDHAATSYJHEHKE-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2,3)9-11(12(17)14(4,5)6)16-8-7-15-10-16/h7-10,12,17H,1-6H3/b11-9-.
What are the key properties of (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol?
(Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol has a molecular weight of 236.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imidazol-1-yl-2,2,6,6-tetramethylhept-4-en-3-ol is sourced from PubChem (CID 12769484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).