ethanol;2-methylpent-4-en-2-ol

C8H18O2 — CID 88842761

IUPACethanol;2-methylpent-4-en-2-ol
SMILESC=CCC(C)(C)O.CCO
InChIInChI=1S/C6H12O.C2H6O/c1-4-5-6(2,3)7;1-2-3/h4,7H,1,5H2,2-3H3;3H,2H2,1H3
InChIKeyQRTHKCZKYPKKGL-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.33
Rot. Bonds2

About ethanol;2-methylpent-4-en-2-ol

ethanol;2-methylpent-4-en-2-ol (PubChem CID 88842761) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is ethanol;2-methylpent-4-en-2-ol.

Molecular Properties

Compound Nameethanol;2-methylpent-4-en-2-ol
PubChem CID88842761
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Nameethanol;2-methylpent-4-en-2-ol
SMILESC=CCC(C)(C)O.CCO
InChIInChI=1S/C6H12O.C2H6O/c1-4-5-6(2,3)7;1-2-3/h4,7H,1,5H2,2-3H3;3H,2H2,1H3
InChIKeyQRTHKCZKYPKKGL-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
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 ethanol;2-methylpent-4-en-2-ol?
The IUPAC name of ethanol;2-methylpent-4-en-2-ol (CID 88842761) is ethanol;2-methylpent-4-en-2-ol.
What is the SMILES notation for ethanol;2-methylpent-4-en-2-ol?
The canonical SMILES for ethanol;2-methylpent-4-en-2-ol is C=CCC(C)(C)O.CCO.
What is the InChIKey of ethanol;2-methylpent-4-en-2-ol?
The InChIKey is QRTHKCZKYPKKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H6O/c1-4-5-6(2,3)7;1-2-3/h4,7H,1,5H2,2-3H3;3H,2H2,1H3.
What are the key properties of ethanol;2-methylpent-4-en-2-ol?
ethanol;2-methylpent-4-en-2-ol has a molecular weight of 146.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-methylpent-4-en-2-ol is sourced from PubChem (CID 88842761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).