[(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane

C19H30O2Si — CID 100975403

IUPAC[(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane
SMILESCOC(C[C@H](CCC#CC[Si](C)(C)C)c1ccccc1)OC
InChIInChI=1S/C19H30O2Si/c1-20-19(21-2)16-18(17-12-8-6-9-13-17)14-10-7-11-15-22(3,4)5/h6,8-9,12-13,18-19H,10,14-16H2,1-5H3/t18-/m0/s1
InChIKeyPHQRSAKAZWISGV-SFHVURJKSA-N
MW318.53 g/mol
LogP4.90
Rot. Bonds8

About [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane

[(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane (PubChem CID 100975403) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane
PubChem CID100975403
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name[(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane
SMILESCOC(C[C@H](CCC#CC[Si](C)(C)C)c1ccccc1)OC
InChIInChI=1S/C19H30O2Si/c1-20-19(21-2)16-18(17-12-8-6-9-13-17)14-10-7-11-15-22(3,4)5/h6,8-9,12-13,18-19H,10,14-16H2,1-5H3/t18-/m0/s1
InChIKeyPHQRSAKAZWISGV-SFHVURJKSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane 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

(3S)-3-phenyl-8-trimethylsilyloct-6-ynal
CID 100975400
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
3-phenyl-7-trimethylsilylhept-5-ynal
CID 10753719
3-methoxy-2-methyl-3-phenylpropanenitrile
CID 174515240
[(1R,3S)-1,3,5,5-tetramethoxypentyl]benzene
CID 124630788
6,8-dimethoxyoctan-4-ylbenzene
CID 175195889
1,1-diphenylhexan-3-ylbenzene
CID 57087261
N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine
CID 81026656
1,3-dimethoxypentadec-8-ynylbenzene
CID 90962024
4,7-diphenyloctan-2-ylbenzene
CID 21184937
(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
CID 24795141
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336

Frequently Asked Questions

What is the IUPAC name of [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane?
The IUPAC name of [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane (CID 100975403) is [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane.
What is the SMILES notation for [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane?
The canonical SMILES for [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane is COC(C[C@H](CCC#CC[Si](C)(C)C)c1ccccc1)OC.
What is the InChIKey of [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane?
The InChIKey is PHQRSAKAZWISGV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-20-19(21-2)16-18(17-12-8-6-9-13-17)14-10-7-11-15-22(3,4)5/h6,8-9,12-13,18-19H,10,14-16H2,1-5H3/t18-/m0/s1.
What are the key properties of [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane?
[(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane has a molecular weight of 318.53 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-8,8-dimethoxy-6-phenyloct-2-ynyl]-trimethylsilane is sourced from PubChem (CID 100975403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).