trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane

C17H24OSi — CID 10564136

IUPACtrimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane
SMILESC[C@@H]1[C@@H](C#C[Si](C)(C)C)[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H24OSi/c1-14-16(10-11-19(2,3)4)17(14)13-18-12-15-8-6-5-7-9-15/h5-9,14,16-17H,12-13H2,1-4H3/t14-,16-,17-/m1/s1
InChIKeyNDKRNPQVXPAXEU-DJIMGWMZSA-N
MW272.46 g/mol
LogP3.97
Rot. Bonds4

About trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane

trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane (PubChem CID 10564136) has the molecular formula C17H24OSi and a molecular weight of 272.46 g/mol. Its IUPAC name is trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane
PubChem CID10564136
Molecular FormulaC17H24OSi
Molecular Weight272.46 g/mol
Exact Mass272.16
IUPAC Nametrimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane
SMILESC[C@@H]1[C@@H](C#C[Si](C)(C)C)[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H24OSi/c1-14-16(10-11-19(2,3)4)17(14)13-18-12-15-8-6-5-7-9-15/h5-9,14,16-17H,12-13H2,1-4H3/t14-,16-,17-/m1/s1
InChIKeyNDKRNPQVXPAXEU-DJIMGWMZSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
(1S,2S,3S,5R)-3-methyl-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 58620345
(1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol
CID 58451425
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane
CID 175267001
trimethyl-[2-[(1R,5S,8S,12S)-5-(phenylmethoxymethyl)-7-oxa-6-azatricyclo[6.3.1.01,6]dodecan-12-yl]ethynyl]silane
CID 71483629
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 166718283
(1S,2S,3S,4R,5S)-3-bromo-5-(phenylmethoxymethyl)cyclopentane-1,2,4-triol
CID 102123627
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 10811839

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane (CID 10564136) is trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane is C[C@@H]1[C@@H](C#C[Si](C)(C)C)[C@@H]1COCc1ccccc1.
What is the InChIKey of trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane?
The InChIKey is NDKRNPQVXPAXEU-DJIMGWMZSA-N. The full InChI is InChI=1S/C17H24OSi/c1-14-16(10-11-19(2,3)4)17(14)13-18-12-15-8-6-5-7-9-15/h5-9,14,16-17H,12-13H2,1-4H3/t14-,16-,17-/m1/s1.
What are the key properties of trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane?
trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane has a molecular weight of 272.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane is sourced from PubChem (CID 10564136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).