(Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol

C17H26O4 — CID 102298450

IUPAC(Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol
SMILESCCO/C(=C\CC(O)c1ccccc1)C(OCC)OCC
InChIInChI=1S/C17H26O4/c1-4-19-16(17(20-5-2)21-6-3)13-12-15(18)14-10-8-7-9-11-14/h7-11,13,15,17-18H,4-6,12H2,1-3H3/b16-13-
InChIKeyLSEXZOVTJXOXDQ-SSZFMOIBSA-N
MW294.39 g/mol
LogP3.43
Rot. Bonds10

About (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol

(Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol (PubChem CID 102298450) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol
PubChem CID102298450
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol
SMILESCCO/C(=C\CC(O)c1ccccc1)C(OCC)OCC
InChIInChI=1S/C17H26O4/c1-4-19-16(17(20-5-2)21-6-3)13-12-15(18)14-10-8-7-9-11-14/h7-11,13,15,17-18H,4-6,12H2,1-3H3/b16-13-
InChIKeyLSEXZOVTJXOXDQ-SSZFMOIBSA-N
XLogP3.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
CID 44889759
4-ethoxy-1-phenylbut-3-en-1-ol
CID 4552736
(1R)-4,4-diethoxy-1-phenylbutan-1-ol
CID 102265483
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
CID 125466229
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
diethyl (Z)-2-[(E)-5-hydroxy-5-phenylpent-2-enyl]-3-methylbut-2-enedioate
CID 101357446
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol
CID 11087304
ethyl (Z)-3-ethoxy-5-hydroxy-5-phenylpent-2-enoate
CID 11572497
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186

Frequently Asked Questions

What is the IUPAC name of (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol?
The IUPAC name of (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol (CID 102298450) is (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol.
What is the SMILES notation for (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol?
The canonical SMILES for (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol is CCO/C(=C\CC(O)c1ccccc1)C(OCC)OCC.
What is the InChIKey of (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol?
The InChIKey is LSEXZOVTJXOXDQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H26O4/c1-4-19-16(17(20-5-2)21-6-3)13-12-15(18)14-10-8-7-9-11-14/h7-11,13,15,17-18H,4-6,12H2,1-3H3/b16-13-.
What are the key properties of (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol?
(Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol has a molecular weight of 294.39 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol is sourced from PubChem (CID 102298450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).