2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol

C11H22O3 — CID 56973691

IUPAC2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)C1(C(C)C)OC[C@@H](CCO)O1
InChIInChI=1S/C11H22O3/c1-8(2)11(9(3)4)13-7-10(14-11)5-6-12/h8-10,12H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyXFPZNMFFBDUEGH-SNVBAGLBSA-N
MW202.29 g/mol
LogP1.79
Rot. Bonds4

About 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol

2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 56973691) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol
PubChem CID56973691
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)C1(C(C)C)OC[C@@H](CCO)O1
InChIInChI=1S/C11H22O3/c1-8(2)11(9(3)4)13-7-10(14-11)5-6-12/h8-10,12H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyXFPZNMFFBDUEGH-SNVBAGLBSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol (CID 56973691) is 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol is CC(C)C1(C(C)C)OC[C@@H](CCO)O1.
What is the InChIKey of 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is XFPZNMFFBDUEGH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)11(9(3)4)13-7-10(14-11)5-6-12/h8-10,12H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol?
2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 202.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 56973691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).