lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane

C18H27LiO4 — CID 23691281

IUPAClithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane
SMILESCOC(C)(C)[C@@H]1OC(Cc2c[c-]ccc2)O[C@H]1C(C)(C)OC.[Li+]
InChIInChI=1S/C18H27O4.Li/c1-17(2,19-5)15-16(18(3,4)20-6)22-14(21-15)12-13-10-8-7-9-11-13;/h7-8,10-11,14-16H,12H2,1-6H3;/q-1;+1/t15-,16-;/m1./s1
InChIKeyRHEAPLWGOQANLW-QNBGGDODSA-N
MW314.35 g/mol
LogP-0.01
Rot. Bonds6

About lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane

lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane (PubChem CID 23691281) has the molecular formula C18H27LiO4 and a molecular weight of 314.35 g/mol. Its IUPAC name is lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Namelithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane
PubChem CID23691281
Molecular FormulaC18H27LiO4
Molecular Weight314.35 g/mol
Exact Mass314.21
IUPAC Namelithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane
SMILESCOC(C)(C)[C@@H]1OC(Cc2c[c-]ccc2)O[C@H]1C(C)(C)OC.[Li+]
InChIInChI=1S/C18H27O4.Li/c1-17(2,19-5)15-16(18(3,4)20-6)22-14(21-15)12-13-10-8-7-9-11-13;/h7-8,10-11,14-16H,12H2,1-6H3;/q-1;+1/t15-,16-;/m1./s1
InChIKeyRHEAPLWGOQANLW-QNBGGDODSA-N
XLogP-0.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane?
The IUPAC name of lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane (CID 23691281) is lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane.
What is the SMILES notation for lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane?
The canonical SMILES for lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane is COC(C)(C)[C@@H]1OC(Cc2c[c-]ccc2)O[C@H]1C(C)(C)OC.[Li+].
What is the InChIKey of lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane?
The InChIKey is RHEAPLWGOQANLW-QNBGGDODSA-N. The full InChI is InChI=1S/C18H27O4.Li/c1-17(2,19-5)15-16(18(3,4)20-6)22-14(21-15)12-13-10-8-7-9-11-13;/h7-8,10-11,14-16H,12H2,1-6H3;/q-1;+1/t15-,16-;/m1./s1.
What are the key properties of lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane?
lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane has a molecular weight of 314.35 g/mol, XLogP of -0.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4R,5R)-4,5-bis(2-methoxypropan-2-yl)-2-(phenylmethyl)-1,3-dioxolane is sourced from PubChem (CID 23691281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).