3-methyl-1-prop-2-enoxybutan-2-ol

C8H16O2 — CID 166518610

IUPAC3-methyl-1-prop-2-enoxybutan-2-ol
SMILESC=CCOCC(O)C(C)C
InChIInChI=1S/C8H16O2/c1-4-5-10-6-8(9)7(2)3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyBRIPWJDZCIPFIZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.21
Rot. Bonds5

About 3-methyl-1-prop-2-enoxybutan-2-ol

3-methyl-1-prop-2-enoxybutan-2-ol (PubChem CID 166518610) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enoxybutan-2-ol.

Molecular Properties

Compound Name3-methyl-1-prop-2-enoxybutan-2-ol
PubChem CID166518610
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-methyl-1-prop-2-enoxybutan-2-ol
SMILESC=CCOCC(O)C(C)C
InChIInChI=1S/C8H16O2/c1-4-5-10-6-8(9)7(2)3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyBRIPWJDZCIPFIZ-UHFFFAOYSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methyl-1-prop-2-enoxybutan-2-ol?
The IUPAC name of 3-methyl-1-prop-2-enoxybutan-2-ol (CID 166518610) is 3-methyl-1-prop-2-enoxybutan-2-ol.
What is the SMILES notation for 3-methyl-1-prop-2-enoxybutan-2-ol?
The canonical SMILES for 3-methyl-1-prop-2-enoxybutan-2-ol is C=CCOCC(O)C(C)C.
What is the InChIKey of 3-methyl-1-prop-2-enoxybutan-2-ol?
The InChIKey is BRIPWJDZCIPFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-10-6-8(9)7(2)3/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 3-methyl-1-prop-2-enoxybutan-2-ol?
3-methyl-1-prop-2-enoxybutan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enoxybutan-2-ol is sourced from PubChem (CID 166518610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).