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

C12H22O4 — CID 117169125

IUPAC2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCCCO2)OCC(CCO)O1
InChIInChI=1S/C12H22O4/c1-12(8-10-4-2-3-7-14-10)15-9-11(16-12)5-6-13/h10-11,13H,2-9H2,1H3
InChIKeyZKYUKUCTIRWSRM-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.46
Rot. Bonds4

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

2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117169125) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117169125
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCCCO2)OCC(CCO)O1
InChIInChI=1S/C12H22O4/c1-12(8-10-4-2-3-7-14-10)15-9-11(16-12)5-6-13/h10-11,13H,2-9H2,1H3
InChIKeyZKYUKUCTIRWSRM-UHFFFAOYSA-N
XLogP1.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine
CID 117169026
2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168537
2-[2-methyl-2-(piperidin-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169140
2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168650
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
2-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
CID 102007920
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
2-[[(2R)-2-methyloxolan-2-yl]methyl]oxane
CID 102007919
2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168937
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-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol (CID 117169125) is 2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol is CC1(CC2CCCCO2)OCC(CCO)O1.
What is the InChIKey of 2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is ZKYUKUCTIRWSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-12(8-10-4-2-3-7-14-10)15-9-11(16-12)5-6-13/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 230.30 g/mol, XLogP of 1.46, 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-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117169125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).