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

C14H20O4 — CID 10999528

IUPAC[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@H](CO)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C14H20O4/c1-14(2)17-12(8-15)13(18-14)10-16-9-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyQNSNKEJGTRCSBP-CHWSQXEVSA-N
MW252.31 g/mol
LogP1.72
Rot. Bonds5

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

[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 10999528) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID10999528
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@H](CO)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C14H20O4/c1-14(2)17-12(8-15)13(18-14)10-16-9-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyQNSNKEJGTRCSBP-CHWSQXEVSA-N
XLogP1.72
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol (CID 10999528) is [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@H](CO)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is QNSNKEJGTRCSBP-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(2)17-12(8-15)13(18-14)10-16-9-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol?
[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 252.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10999528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).