1-(2-methylprop-2-enoxy)propan-2-ol

C7H14O2 — CID 19068472

IUPAC1-(2-methylprop-2-enoxy)propan-2-ol
SMILESC=C(C)COCC(C)O
InChIInChI=1S/C7H14O2/c1-6(2)4-9-5-7(3)8/h7-8H,1,4-5H2,2-3H3
InChIKeyQOGOGIZUIHBJIC-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds4

About 1-(2-methylprop-2-enoxy)propan-2-ol

1-(2-methylprop-2-enoxy)propan-2-ol (PubChem CID 19068472) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)propan-2-ol
PubChem CID19068472
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-(2-methylprop-2-enoxy)propan-2-ol
SMILESC=C(C)COCC(C)O
InChIInChI=1S/C7H14O2/c1-6(2)4-9-5-7(3)8/h7-8H,1,4-5H2,2-3H3
InChIKeyQOGOGIZUIHBJIC-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)propan-2-ol?
The IUPAC name of 1-(2-methylprop-2-enoxy)propan-2-ol (CID 19068472) is 1-(2-methylprop-2-enoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)propan-2-ol?
The canonical SMILES for 1-(2-methylprop-2-enoxy)propan-2-ol is C=C(C)COCC(C)O.
What is the InChIKey of 1-(2-methylprop-2-enoxy)propan-2-ol?
The InChIKey is QOGOGIZUIHBJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(2)4-9-5-7(3)8/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)propan-2-ol?
1-(2-methylprop-2-enoxy)propan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)propan-2-ol is sourced from PubChem (CID 19068472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).