(E)-5,5-diethoxypent-2-en-1-ol

C9H18O3 — CID 12533995

IUPAC(E)-5,5-diethoxypent-2-en-1-ol
SMILESCCOC(C/C=C/CO)OCC
InChIInChI=1S/C9H18O3/c1-3-11-9(12-4-2)7-5-6-8-10/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyBUMSNWIIFNJOHR-AATRIKPKSA-N
MW174.24 g/mol
LogP1.32
Rot. Bonds7

About (E)-5,5-diethoxypent-2-en-1-ol

(E)-5,5-diethoxypent-2-en-1-ol (PubChem CID 12533995) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (E)-5,5-diethoxypent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5,5-diethoxypent-2-en-1-ol
PubChem CID12533995
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(E)-5,5-diethoxypent-2-en-1-ol
SMILESCCOC(C/C=C/CO)OCC
InChIInChI=1S/C9H18O3/c1-3-11-9(12-4-2)7-5-6-8-10/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyBUMSNWIIFNJOHR-AATRIKPKSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Acetaldehyde ethyl (Z)-3-hexenyl acetal
CID 5366352
3-Hexene, 1,1-diethoxy-, (3Z)-
CID 5364291
3-Hexene, 1-(1-ethoxyethoxy)-, (E)-
CID 5463962
3-Hexene, 1,1'-[ethylidenebis(oxy)]bis-, (3Z,3'Z)-
CID 113198
3-Hexene, 1-(1-methoxypropoxy)-, (3E)-
CID 6366609
3-Hexene, 1-(1-methoxypropoxy)-, (3Z)-
CID 20836345
1,1-Diethoxyhex-3-ene
CID 166431
Acetaldehyde di-cis-3-hexenyl acetal
CID 5367767
1-(1-Ethoxyethoxy)hex-3-ene
CID 108504
3-Hexene, 1-(1-methoxyethoxy)-, (Z)-
CID 5365355
(Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol
CID 10889316
2-Hexen-1-ol, 6-(1-ethoxyethoxy)-, (2E)-
CID 6437396

Frequently Asked Questions

What is the IUPAC name of (E)-5,5-diethoxypent-2-en-1-ol?
The IUPAC name of (E)-5,5-diethoxypent-2-en-1-ol (CID 12533995) is (E)-5,5-diethoxypent-2-en-1-ol.
What is the SMILES notation for (E)-5,5-diethoxypent-2-en-1-ol?
The canonical SMILES for (E)-5,5-diethoxypent-2-en-1-ol is CCOC(C/C=C/CO)OCC.
What is the InChIKey of (E)-5,5-diethoxypent-2-en-1-ol?
The InChIKey is BUMSNWIIFNJOHR-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-11-9(12-4-2)7-5-6-8-10/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of (E)-5,5-diethoxypent-2-en-1-ol?
(E)-5,5-diethoxypent-2-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-diethoxypent-2-en-1-ol is sourced from PubChem (CID 12533995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).