[(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C9H14N2O3 — CID 10750465

IUPAC[(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@@H](c2cnc[nH]2)O1
InChIInChI=1S/C9H14N2O3/c1-9(2)13-7(4-12)8(14-9)6-3-10-5-11-6/h3,5,7-8,12H,4H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyIOWVXIDAQVKDJT-JGVFFNPUSA-N
MW198.22 g/mol
LogP0.59
Rot. Bonds2

About [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 10750465) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID10750465
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name[(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@@H](c2cnc[nH]2)O1
InChIInChI=1S/C9H14N2O3/c1-9(2)13-7(4-12)8(14-9)6-3-10-5-11-6/h3,5,7-8,12H,4H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyIOWVXIDAQVKDJT-JGVFFNPUSA-N
XLogP0.59
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 10750465) is [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H](CO)[C@@H](c2cnc[nH]2)O1.
What is the InChIKey of [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is IOWVXIDAQVKDJT-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(2)13-7(4-12)8(14-9)6-3-10-5-11-6/h3,5,7-8,12H,4H2,1-2H3,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 198.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10750465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).