4-ethoxy-3-ethylhex-5-en-3-ol

C10H20O2 — CID 3613711

IUPAC4-ethoxy-3-ethylhex-5-en-3-ol
SMILESC=CC(OCC)C(O)(CC)CC
InChIInChI=1S/C10H20O2/c1-5-9(12-8-4)10(11,6-2)7-3/h5,9,11H,1,6-8H2,2-4H3
InChIKeyKVRLSAIRHRSHQR-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.13
Rot. Bonds6

About 4-ethoxy-3-ethylhex-5-en-3-ol

4-ethoxy-3-ethylhex-5-en-3-ol (PubChem CID 3613711) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethoxy-3-ethylhex-5-en-3-ol.

Molecular Properties

Compound Name4-ethoxy-3-ethylhex-5-en-3-ol
PubChem CID3613711
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-ethoxy-3-ethylhex-5-en-3-ol
SMILESC=CC(OCC)C(O)(CC)CC
InChIInChI=1S/C10H20O2/c1-5-9(12-8-4)10(11,6-2)7-3/h5,9,11H,1,6-8H2,2-4H3
InChIKeyKVRLSAIRHRSHQR-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.13
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 4-ethoxy-3-ethylhex-5-en-3-ol?
The IUPAC name of 4-ethoxy-3-ethylhex-5-en-3-ol (CID 3613711) is 4-ethoxy-3-ethylhex-5-en-3-ol.
What is the SMILES notation for 4-ethoxy-3-ethylhex-5-en-3-ol?
The canonical SMILES for 4-ethoxy-3-ethylhex-5-en-3-ol is C=CC(OCC)C(O)(CC)CC.
What is the InChIKey of 4-ethoxy-3-ethylhex-5-en-3-ol?
The InChIKey is KVRLSAIRHRSHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9(12-8-4)10(11,6-2)7-3/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 4-ethoxy-3-ethylhex-5-en-3-ol?
4-ethoxy-3-ethylhex-5-en-3-ol has a molecular weight of 172.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-ethylhex-5-en-3-ol is sourced from PubChem (CID 3613711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).