1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol

C10H20O3 — CID 14493904

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COC(C)(C)C
InChIInChI=1S/C10H20O3/c1-5-6-12-7-9(11)8-13-10(2,3)4/h5,9,11H,1,6-8H2,2-4H3
InChIKeyAMQHHZNMAZQELV-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.37
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol (PubChem CID 14493904) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol
PubChem CID14493904
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COC(C)(C)C
InChIInChI=1S/C10H20O3/c1-5-6-12-7-9(11)8-13-10(2,3)4/h5,9,11H,1,6-8H2,2-4H3
InChIKeyAMQHHZNMAZQELV-UHFFFAOYSA-N
XLogP1.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol (CID 14493904) is 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol?
The InChIKey is AMQHHZNMAZQELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-6-12-7-9(11)8-13-10(2,3)4/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 14493904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).