2-propan-2-yloxyethanol

C5H12O2 — CID 7996

IUPAC2-propan-2-yloxyethanol
SMILESCC(C)OCCO
InChIInChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
InChIKeyHCGFUIQPSOCUHI-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.40
Rot. Bonds3

About 2-propan-2-yloxyethanol

2-propan-2-yloxyethanol (PubChem CID 7996) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-propan-2-yloxyethanol.

Molecular Properties

Compound Name2-propan-2-yloxyethanol
PubChem CID7996
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name2-propan-2-yloxyethanol
SMILESCC(C)OCCO
InChIInChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
InChIKeyHCGFUIQPSOCUHI-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diethylene Glycol Monomethyl Ether
CID 8134
2-Butoxyethanol
CID 8133
Diethylene Glycol Monoethyl Ether
CID 8146
Glycol monoethyl ether
CID 8076
1-Methoxy-2-propanol
CID 7900
1-tert-Butoxy-2-propanol
CID 92629
Glycol monopropyl ether
CID 17756
2-Methoxy-1-propanol
CID 14846
Dipropylene glycol n-butyl ether
CID 24752
Dipropylene Glycol
CID 134692469
Dipropylene glycol monomethyl ether
CID 25484
Diethylene glycol monopropyl ether
CID 81313

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethanol?
The IUPAC name of 2-propan-2-yloxyethanol (CID 7996) is 2-propan-2-yloxyethanol.
What is the SMILES notation for 2-propan-2-yloxyethanol?
The canonical SMILES for 2-propan-2-yloxyethanol is CC(C)OCCO.
What is the InChIKey of 2-propan-2-yloxyethanol?
The InChIKey is HCGFUIQPSOCUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yloxyethanol?
2-propan-2-yloxyethanol has a molecular weight of 104.15 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethanol is sourced from PubChem (CID 7996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).