(E)-3-ethyl-4-methylpent-2-en-2-ol

C8H16O — CID 173103704

IUPAC(E)-3-ethyl-4-methylpent-2-en-2-ol
SMILESCC/C(=C(/C)O)C(C)C
InChIInChI=1S/C8H16O/c1-5-8(6(2)3)7(4)9/h6,9H,5H2,1-4H3/b8-7+
InChIKeyIPYSBFAPMVUSSM-BQYQJAHWSA-N
MW128.21 g/mol
LogP2.88
Rot. Bonds2

About (E)-3-ethyl-4-methylpent-2-en-2-ol

(E)-3-ethyl-4-methylpent-2-en-2-ol (PubChem CID 173103704) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E)-3-ethyl-4-methylpent-2-en-2-ol.

Molecular Properties

Compound Name(E)-3-ethyl-4-methylpent-2-en-2-ol
PubChem CID173103704
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E)-3-ethyl-4-methylpent-2-en-2-ol
SMILESCC/C(=C(/C)O)C(C)C
InChIInChI=1S/C8H16O/c1-5-8(6(2)3)7(4)9/h6,9H,5H2,1-4H3/b8-7+
InChIKeyIPYSBFAPMVUSSM-BQYQJAHWSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-4-methylpent-2-en-2-ol?
The IUPAC name of (E)-3-ethyl-4-methylpent-2-en-2-ol (CID 173103704) is (E)-3-ethyl-4-methylpent-2-en-2-ol.
What is the SMILES notation for (E)-3-ethyl-4-methylpent-2-en-2-ol?
The canonical SMILES for (E)-3-ethyl-4-methylpent-2-en-2-ol is CC/C(=C(/C)O)C(C)C.
What is the InChIKey of (E)-3-ethyl-4-methylpent-2-en-2-ol?
The InChIKey is IPYSBFAPMVUSSM-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16O/c1-5-8(6(2)3)7(4)9/h6,9H,5H2,1-4H3/b8-7+.
What are the key properties of (E)-3-ethyl-4-methylpent-2-en-2-ol?
(E)-3-ethyl-4-methylpent-2-en-2-ol has a molecular weight of 128.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-4-methylpent-2-en-2-ol is sourced from PubChem (CID 173103704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).