(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol

C13H18O3 — CID 123528686

IUPAC(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(C)OC(CO)C(Cc2ccccc2)O1
InChIInChI=1S/C13H18O3/c1-13(2)15-11(12(9-14)16-13)8-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3
InChIKeyRVBBAJFAPVANOK-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.74
Rot. Bonds3

About (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol

(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol (PubChem CID 123528686) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
PubChem CID123528686
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(C)OC(CO)C(Cc2ccccc2)O1
InChIInChI=1S/C13H18O3/c1-13(2)15-11(12(9-14)16-13)8-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3
InChIKeyRVBBAJFAPVANOK-UHFFFAOYSA-N
XLogP1.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229
(2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 70642752
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[(4R,5R)-5-[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 73057850
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 14526378
[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 90027428
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol
CID 123822075
(1R,2R)-2-(dibenzylamino)-1-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 10525094

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol (CID 123528686) is (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol is CC1(C)OC(CO)C(Cc2ccccc2)O1.
What is the InChIKey of (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is RVBBAJFAPVANOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(2)15-11(12(9-14)16-13)8-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3.
What are the key properties of (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 222.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 123528686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).