(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol

C25H30O — CID 11279446

IUPAC(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol
SMILESCCCCC#C/C(=C(/c1ccccc1)C(O)(CC)CC)c1ccccc1
InChIInChI=1S/C25H30O/c1-4-7-8-15-20-23(21-16-11-9-12-17-21)24(25(26,5-2)6-3)22-18-13-10-14-19-22/h9-14,16-19,26H,4-8H2,1-3H3/b24-23+
InChIKeyVXKZHXUSAHWPRT-WCWDXBQESA-N
MW346.51 g/mol
LogP6.34
Rot. Bonds7

About (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol

(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol (PubChem CID 11279446) has the molecular formula C25H30O and a molecular weight of 346.51 g/mol. Its IUPAC name is (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol.

Molecular Properties

Compound Name(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol
PubChem CID11279446
Molecular FormulaC25H30O
Molecular Weight346.51 g/mol
Exact Mass346.23
IUPAC Name(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol
SMILESCCCCC#C/C(=C(/c1ccccc1)C(O)(CC)CC)c1ccccc1
InChIInChI=1S/C25H30O/c1-4-7-8-15-20-23(21-16-11-9-12-17-21)24(25(26,5-2)6-3)22-18-13-10-14-19-22/h9-14,16-19,26H,4-8H2,1-3H3/b24-23+
InChIKeyVXKZHXUSAHWPRT-WCWDXBQESA-N
XLogP6.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

oct-1-en-3-yn-2-ylbenzene
CID 86242377
(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
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CID 102291976
N-tert-butyl-1-phenylpentadec-2-yn-1-imine
CID 71659442
1-(2-hept-2-ynoylphenyl)hept-2-yn-1-one
CID 164666066
3-methyl-1,3-diphenylnon-4-yn-1-one
CID 102480469
5-phenylundec-6-yn-5-ol
CID 172639655
[(Z)-4-methyl-1-phenyloct-3-en-1-yn-3-yl]benzene
CID 102375518
(E)-3-methyl-2-phenyl-4-trimethylsilyldec-3-en-5-yn-2-ol
CID 11957885
butyl-tris(1-phenylethenyl)boranuide
CID 173338023
tributyl(1-phenylethenyl)phosphanium
CID 71320893
1-hex-1-ynyl-2-(1-phenylpropa-1,2-dienyl)benzene
CID 101122268

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol?
The IUPAC name of (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol (CID 11279446) is (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol.
What is the SMILES notation for (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol?
The canonical SMILES for (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol is CCCCC#C/C(=C(/c1ccccc1)C(O)(CC)CC)c1ccccc1.
What is the InChIKey of (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol?
The InChIKey is VXKZHXUSAHWPRT-WCWDXBQESA-N. The full InChI is InChI=1S/C25H30O/c1-4-7-8-15-20-23(21-16-11-9-12-17-21)24(25(26,5-2)6-3)22-18-13-10-14-19-22/h9-14,16-19,26H,4-8H2,1-3H3/b24-23+.
What are the key properties of (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol?
(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol has a molecular weight of 346.51 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol is sourced from PubChem (CID 11279446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).