2-methyl-2-prop-2-enoxybut-3-en-1-ol

C8H14O2 — CID 20697426

IUPAC2-methyl-2-prop-2-enoxybut-3-en-1-ol
SMILESC=CCOC(C)(C=C)CO
InChIInChI=1S/C8H14O2/c1-4-6-10-8(3,5-2)7-9/h4-5,9H,1-2,6-7H2,3H3
InChIKeyGEDSKDWRGMKQHV-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds5

About 2-methyl-2-prop-2-enoxybut-3-en-1-ol

2-methyl-2-prop-2-enoxybut-3-en-1-ol (PubChem CID 20697426) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enoxybut-3-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-prop-2-enoxybut-3-en-1-ol
PubChem CID20697426
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methyl-2-prop-2-enoxybut-3-en-1-ol
SMILESC=CCOC(C)(C=C)CO
InChIInChI=1S/C8H14O2/c1-4-6-10-8(3,5-2)7-9/h4-5,9H,1-2,6-7H2,3H3
InChIKeyGEDSKDWRGMKQHV-UHFFFAOYSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
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 2-methyl-2-prop-2-enoxybut-3-en-1-ol?
The IUPAC name of 2-methyl-2-prop-2-enoxybut-3-en-1-ol (CID 20697426) is 2-methyl-2-prop-2-enoxybut-3-en-1-ol.
What is the SMILES notation for 2-methyl-2-prop-2-enoxybut-3-en-1-ol?
The canonical SMILES for 2-methyl-2-prop-2-enoxybut-3-en-1-ol is C=CCOC(C)(C=C)CO.
What is the InChIKey of 2-methyl-2-prop-2-enoxybut-3-en-1-ol?
The InChIKey is GEDSKDWRGMKQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-10-8(3,5-2)7-9/h4-5,9H,1-2,6-7H2,3H3.
What are the key properties of 2-methyl-2-prop-2-enoxybut-3-en-1-ol?
2-methyl-2-prop-2-enoxybut-3-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enoxybut-3-en-1-ol is sourced from PubChem (CID 20697426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).