2-(2-propan-2-yloxyethyl)propane-1,3-diol

C8H18O3 — CID 79450702

IUPAC2-(2-propan-2-yloxyethyl)propane-1,3-diol
SMILESCC(C)OCCC(CO)CO
InChIInChI=1S/C8H18O3/c1-7(2)11-4-3-8(5-9)6-10/h7-10H,3-6H2,1-2H3
InChIKeyRGQJBWCTCVKKEJ-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.40
Rot. Bonds6

About 2-(2-propan-2-yloxyethyl)propane-1,3-diol

2-(2-propan-2-yloxyethyl)propane-1,3-diol (PubChem CID 79450702) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethyl)propane-1,3-diol
PubChem CID79450702
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-(2-propan-2-yloxyethyl)propane-1,3-diol
SMILESCC(C)OCCC(CO)CO
InChIInChI=1S/C8H18O3/c1-7(2)11-4-3-8(5-9)6-10/h7-10H,3-6H2,1-2H3
InChIKeyRGQJBWCTCVKKEJ-UHFFFAOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2-propan-2-yloxyethyl)pentan-1-ol
CID 66060463
3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
CID 88620872
4-propan-2-yloxy-2-sulfanylbutan-1-ol
CID 19756010
2-ethyl-4-propan-2-yloxybutan-1-amine
CID 62505912
2-(propan-2-yloxymethyl)pentan-1-ol
CID 123951755
3-(chloromethyl)-1-propan-2-yloxyhexane
CID 66035666
4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol
CID 138690403
[4-hydroxy-3-(hydroxymethyl)butyl] acetate
CID 87761693
N-methyl-2-(2-propan-2-yloxyethyl)pentan-1-amine
CID 62528925
2-(2-propan-2-yloxyethylsulfanyl)propan-1-ol
CID 115659404
3,5-dimethyl-1-propan-2-yloxyhexane
CID 155609202
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethyl)propane-1,3-diol?
The IUPAC name of 2-(2-propan-2-yloxyethyl)propane-1,3-diol (CID 79450702) is 2-(2-propan-2-yloxyethyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-propan-2-yloxyethyl)propane-1,3-diol?
The canonical SMILES for 2-(2-propan-2-yloxyethyl)propane-1,3-diol is CC(C)OCCC(CO)CO.
What is the InChIKey of 2-(2-propan-2-yloxyethyl)propane-1,3-diol?
The InChIKey is RGQJBWCTCVKKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-7(2)11-4-3-8(5-9)6-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-(2-propan-2-yloxyethyl)propane-1,3-diol?
2-(2-propan-2-yloxyethyl)propane-1,3-diol has a molecular weight of 162.23 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethyl)propane-1,3-diol is sourced from PubChem (CID 79450702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).