2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol

C12H26O3 — CID 112592507

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol
SMILESCC(C)C(CO)(CO)CCOC(C)(C)C
InChIInChI=1S/C12H26O3/c1-10(2)12(8-13,9-14)6-7-15-11(3,4)5/h10,13-14H,6-9H2,1-5H3
InChIKeyPEZOWPYBHRLTFP-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.82
Rot. Bonds6

About 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol

2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol (PubChem CID 112592507) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol
PubChem CID112592507
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol
SMILESCC(C)C(CO)(CO)CCOC(C)(C)C
InChIInChI=1S/C12H26O3/c1-10(2)12(8-13,9-14)6-7-15-11(3,4)5/h10,13-14H,6-9H2,1-5H3
InChIKeyPEZOWPYBHRLTFP-UHFFFAOYSA-N
XLogP1.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol
CID 106507565
2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
CID 112590814
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
2-heptyl-2-propan-2-ylpropane-1,3-diol
CID 79450915
2-hexyl-2-propan-2-ylpropane-1,3-diol
CID 79450743
2-decyl-2-propan-2-ylpropane-1,3-diol
CID 79450466
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 154621422
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
CID 88896989
1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane
CID 170705000
2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 123352444
3,3-bis(chloromethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 112592527

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol (CID 112592507) is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol is CC(C)C(CO)(CO)CCOC(C)(C)C.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol?
The InChIKey is PEZOWPYBHRLTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-10(2)12(8-13,9-14)6-7-15-11(3,4)5/h10,13-14H,6-9H2,1-5H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol?
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol has a molecular weight of 218.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol is sourced from PubChem (CID 112592507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).