2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol

C15H22O3 — CID 135083223

IUPAC2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
SMILESCC1(C)O[C@H](CCO)C[C@H](Cc2ccccc2)O1
InChIInChI=1S/C15H22O3/c1-15(2)17-13(8-9-16)11-14(18-15)10-12-6-4-3-5-7-12/h3-7,13-14,16H,8-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyIXWKSYRGCKXKBK-KGLIPLIRSA-N
MW250.34 g/mol
LogP2.52
Rot. Bonds4

About 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol

2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol (PubChem CID 135083223) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
PubChem CID135083223
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
SMILESCC1(C)O[C@H](CCO)C[C@H](Cc2ccccc2)O1
InChIInChI=1S/C15H22O3/c1-15(2)17-13(8-9-16)11-14(18-15)10-12-6-4-3-5-7-12/h3-7,13-14,16H,8-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyIXWKSYRGCKXKBK-KGLIPLIRSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The IUPAC name of 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol (CID 135083223) is 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol.
What is the SMILES notation for 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The canonical SMILES for 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol is CC1(C)O[C@H](CCO)C[C@H](Cc2ccccc2)O1.
What is the InChIKey of 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The InChIKey is IXWKSYRGCKXKBK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2)17-13(8-9-16)11-14(18-15)10-12-6-4-3-5-7-12/h3-7,13-14,16H,8-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol is sourced from PubChem (CID 135083223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).