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

C8H16O2 — CID 123962171

IUPAC2-methyl-3-prop-1-enoxybutan-2-ol
SMILESCC=COC(C)C(C)(C)O
InChIInChI=1S/C8H16O2/c1-5-6-10-7(2)8(3,4)9/h5-7,9H,1-4H3
InChIKeyQNBAXELJQRQLIO-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.70
Rot. Bonds3

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

2-methyl-3-prop-1-enoxybutan-2-ol (PubChem CID 123962171) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-methyl-3-prop-1-enoxybutan-2-ol.

Molecular Properties

Compound Name2-methyl-3-prop-1-enoxybutan-2-ol
PubChem CID123962171
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-methyl-3-prop-1-enoxybutan-2-ol
SMILESCC=COC(C)C(C)(C)O
InChIInChI=1S/C8H16O2/c1-5-6-10-7(2)8(3,4)9/h5-7,9H,1-4H3
InChIKeyQNBAXELJQRQLIO-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

prop-1-enoxymethanetriol
CID 141049988
2-[(E)-prop-1-enoxy]butane
CID 22498076
2-[(Z)-prop-1-enoxy]propan-1-ol
CID 134346043
2,3-dimethylhex-4-en-2-ol
CID 91446389
2,3-dimethyl(213C)butan-2-ol
CID 100985919
(Z)-1-[bromo(iodo)methoxy]prop-1-ene
CID 173414293
2,3-dimethylbutan-2-ol;titanium
CID 151633599
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176605409
ethylidene(1-prop-1-enoxypropyl)silane
CID 173333632
(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol
CID 167005628
3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-2-methylbutan-2-ol
CID 18725475
(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene
CID 118181315

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-1-enoxybutan-2-ol?
The IUPAC name of 2-methyl-3-prop-1-enoxybutan-2-ol (CID 123962171) is 2-methyl-3-prop-1-enoxybutan-2-ol.
What is the SMILES notation for 2-methyl-3-prop-1-enoxybutan-2-ol?
The canonical SMILES for 2-methyl-3-prop-1-enoxybutan-2-ol is CC=COC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-prop-1-enoxybutan-2-ol?
The InChIKey is QNBAXELJQRQLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-6-10-7(2)8(3,4)9/h5-7,9H,1-4H3.
What are the key properties of 2-methyl-3-prop-1-enoxybutan-2-ol?
2-methyl-3-prop-1-enoxybutan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-1-enoxybutan-2-ol is sourced from PubChem (CID 123962171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).