1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol

C27H38O4Si — CID 177279564

IUPAC1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(OCCC)cc1)c1ccc(OCC(C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H38O4Si/c1-9-19-29-24-15-11-22(12-16-24)27(28,10-2)23-13-17-25(18-14-23)30-20-21(3)31-32(7,8)26(4,5)6/h2,11-18,21,28H,9,19-20H2,1,3-8H3
InChIKeyXSCBUSJXFNFIEX-UHFFFAOYSA-N
MW454.68 g/mol
LogP6.13
Rot. Bonds10

About 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol

1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol (PubChem CID 177279564) has the molecular formula C27H38O4Si and a molecular weight of 454.68 g/mol. Its IUPAC name is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol
PubChem CID177279564
Molecular FormulaC27H38O4Si
Molecular Weight454.68 g/mol
Exact Mass454.25
IUPAC Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(OCCC)cc1)c1ccc(OCC(C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H38O4Si/c1-9-19-29-24-15-11-22(12-16-24)27(28,10-2)23-13-17-25(18-14-23)30-20-21(3)31-32(7,8)26(4,5)6/h2,11-18,21,28H,9,19-20H2,1,3-8H3
InChIKeyXSCBUSJXFNFIEX-UHFFFAOYSA-N
XLogP6.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.68
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol
CID 164811356
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]-1-(4-decoxyphenyl)prop-2-yn-1-ol
CID 155790029
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
2-methyl-3-(4-propoxyphenyl)pentan-3-ol
CID 62796253
N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine
CID 62484954
3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile
CID 154155792
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
2-(4-propoxyphenyl)hex-5-en-2-ol
CID 104656350
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
3-methyl-2-(4-propoxyphenyl)pentan-2-amine
CID 55120756

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol (CID 177279564) is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol is C#CC(O)(c1ccc(OCCC)cc1)c1ccc(OCC(C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol?
The InChIKey is XSCBUSJXFNFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O4Si/c1-9-19-29-24-15-11-22(12-16-24)27(28,10-2)23-13-17-25(18-14-23)30-20-21(3)31-32(7,8)26(4,5)6/h2,11-18,21,28H,9,19-20H2,1,3-8H3.
What are the key properties of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol?
1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol has a molecular weight of 454.68 g/mol, XLogP of 6.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 177279564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).