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

C13H18O3 — CID 118379229

IUPAC[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@H](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/t11-,12-/m0/s1
InChIKeyRVBBAJFAPVANOK-RYUDHWBXSA-N
MW222.28 g/mol
LogP1.74
Rot. Bonds3

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

[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 118379229) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID118379229
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO)[C@H](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/t11-,12-/m0/s1
InChIKeyRVBBAJFAPVANOK-RYUDHWBXSA-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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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 118379229) is [(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H](CO)[C@H](Cc2ccccc2)O1.
What is the InChIKey of [(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is RVBBAJFAPVANOK-RYUDHWBXSA-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/t11-,12-/m0/s1.
What are the key properties of [(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-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 [(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 118379229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).