(3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol

C25H46OSi — CID 141399556

IUPAC(3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol
SMILESCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C25H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(26)23-24-27(2,3)4/h10-11,21-22,25-26H,5-9,12-20H2,1-4H3/b11-10-,22-21+/t25-/m1/s1
InChIKeyFPKXEYNSYFSDBU-LWRKNFBSSA-N
MW390.73 g/mol
LogP7.82
Rot. Bonds16

About (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol

(3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol (PubChem CID 141399556) has the molecular formula C25H46OSi and a molecular weight of 390.73 g/mol. Its IUPAC name is (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol.

Molecular Properties

Compound Name(3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol
PubChem CID141399556
Molecular FormulaC25H46OSi
Molecular Weight390.73 g/mol
Exact Mass390.33
IUPAC Name(3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol
SMILESCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C25H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(26)23-24-27(2,3)4/h10-11,21-22,25-26H,5-9,12-20H2,1-4H3/b11-10-,22-21+/t25-/m1/s1
InChIKeyFPKXEYNSYFSDBU-LWRKNFBSSA-N
XLogP7.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.73
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol with MolForge

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Launch Full Analysis

Related Compounds

Panaxynol
CID 5281149
Falcarindiol
CID 5281148
(S)-Falcarinol
CID 5469789
(9E)-heptadeca-1,9-dien-4,6-diyn-3-ol
CID 5353620
Heptadeca-1,9-diene-4,6-diyne-3,8-diol
CID 5317309
(3S,4E,15Z)-docosa-4,15-dien-1-yn-3-ol
CID 5469777
1,9-Heptadecadiene-4,6-diyne-3,8-diol
CID 6436239
Ginsenoyne J
CID 131752800
Npc166942
CID 5283273
(E,3S)-icos-4-en-1-yn-3-ol
CID 5469791
(E)-icos-4-en-1-yn-3-ol
CID 5353336
(E,3S)-henicos-4-en-1-yn-3-ol
CID 5469782

Frequently Asked Questions

What is the IUPAC name of (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol?
The IUPAC name of (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol (CID 141399556) is (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol.
What is the SMILES notation for (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol?
The canonical SMILES for (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol is CCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol?
The InChIKey is FPKXEYNSYFSDBU-LWRKNFBSSA-N. The full InChI is InChI=1S/C25H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(26)23-24-27(2,3)4/h10-11,21-22,25-26H,5-9,12-20H2,1-4H3/b11-10-,22-21+/t25-/m1/s1.
What are the key properties of (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol?
(3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol has a molecular weight of 390.73 g/mol, XLogP of 7.82, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E,15Z)-1-trimethylsilyldocosa-4,15-dien-1-yn-3-ol is sourced from PubChem (CID 141399556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).