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

C16H24O3 — CID 70642752

IUPAC(2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
SMILESCC[C@H](O)C[C@H]1OC(C)(C)O[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H24O3/c1-4-13(17)11-15-14(18-16(2,3)19-15)10-12-8-6-5-7-9-12/h5-9,13-15,17H,4,10-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyDZGAIKOCHOFAQU-RRFJBIMHSA-N
MW264.37 g/mol
LogP2.91
Rot. Bonds5

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

(2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol (PubChem CID 70642752) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
PubChem CID70642752
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
SMILESCC[C@H](O)C[C@H]1OC(C)(C)O[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H24O3/c1-4-13(17)11-15-14(18-16(2,3)19-15)10-12-8-6-5-7-9-12/h5-9,13-15,17H,4,10-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyDZGAIKOCHOFAQU-RRFJBIMHSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol?
The IUPAC name of (2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol (CID 70642752) is (2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol is CC[C@H](O)C[C@H]1OC(C)(C)O[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol?
The InChIKey is DZGAIKOCHOFAQU-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-13(17)11-15-14(18-16(2,3)19-15)10-12-8-6-5-7-9-12/h5-9,13-15,17H,4,10-11H2,1-3H3/t13-,14+,15+/m0/s1.
What are the key properties of (2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol?
(2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4R,5R)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol is sourced from PubChem (CID 70642752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).