2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol

C11H20O4 — CID 117168537

IUPAC2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCOC2)OCC(CCO)O1
InChIInChI=1S/C11H20O4/c1-11(6-9-3-5-13-7-9)14-8-10(15-11)2-4-12/h9-10,12H,2-8H2,1H3
InChIKeyHOTCJBQVHNPJEN-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.93
Rot. Bonds4

About 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol

2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168537) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117168537
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCOC2)OCC(CCO)O1
InChIInChI=1S/C11H20O4/c1-11(6-9-3-5-13-7-9)14-8-10(15-11)2-4-12/h9-10,12H,2-8H2,1H3
InChIKeyHOTCJBQVHNPJEN-UHFFFAOYSA-N
XLogP0.93
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168650
2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169125
2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
CID 117169568
2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169652
[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 117169312
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine
CID 117169026
2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169661
2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117169452
2-[2-[(3-bromophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169464
2,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine
CID 117227702
2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168937

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol (CID 117168537) is 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol is CC1(CC2CCOC2)OCC(CCO)O1.
What is the InChIKey of 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is HOTCJBQVHNPJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-11(6-9-3-5-13-7-9)14-8-10(15-11)2-4-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 216.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).