3-ethyl-2-methoxypent-1-en-3-ol

C8H16O2 — CID 89149604

IUPAC3-ethyl-2-methoxypent-1-en-3-ol
SMILESC=C(OC)C(O)(CC)CC
InChIInChI=1S/C8H16O2/c1-5-8(9,6-2)7(3)10-4/h9H,3,5-6H2,1-2,4H3
InChIKeyIONANFRFXMADFJ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.70
Rot. Bonds4

About 3-ethyl-2-methoxypent-1-en-3-ol

3-ethyl-2-methoxypent-1-en-3-ol (PubChem CID 89149604) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-ethyl-2-methoxypent-1-en-3-ol.

Molecular Properties

Compound Name3-ethyl-2-methoxypent-1-en-3-ol
PubChem CID89149604
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-ethyl-2-methoxypent-1-en-3-ol
SMILESC=C(OC)C(O)(CC)CC
InChIInChI=1S/C8H16O2/c1-5-8(9,6-2)7(3)10-4/h9H,3,5-6H2,1-2,4H3
InChIKeyIONANFRFXMADFJ-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxypent-1-en-3-ol?
The IUPAC name of 3-ethyl-2-methoxypent-1-en-3-ol (CID 89149604) is 3-ethyl-2-methoxypent-1-en-3-ol.
What is the SMILES notation for 3-ethyl-2-methoxypent-1-en-3-ol?
The canonical SMILES for 3-ethyl-2-methoxypent-1-en-3-ol is C=C(OC)C(O)(CC)CC.
What is the InChIKey of 3-ethyl-2-methoxypent-1-en-3-ol?
The InChIKey is IONANFRFXMADFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-8(9,6-2)7(3)10-4/h9H,3,5-6H2,1-2,4H3.
What are the key properties of 3-ethyl-2-methoxypent-1-en-3-ol?
3-ethyl-2-methoxypent-1-en-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxypent-1-en-3-ol is sourced from PubChem (CID 89149604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).