[(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol

C29H37NO2Si — CID 10837631

IUPAC[(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1CC[C@@H](CO)[C@H]1NCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37NO2Si/c1-29(2,3)33(25-15-9-5-10-16-25,26-17-11-6-12-18-26)32-27-20-19-24(22-31)28(27)30-21-23-13-7-4-8-14-23/h4-18,24,27-28,30-31H,19-22H2,1-3H3/t24-,27+,28+/m0/s1
InChIKeyYSFYSZQKTFSQJQ-HNPKZYAISA-N
MW459.71 g/mol
LogP4.49
Rot. Bonds8

About [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol

[(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol (PubChem CID 10837631) has the molecular formula C29H37NO2Si and a molecular weight of 459.71 g/mol. Its IUPAC name is [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol
PubChem CID10837631
Molecular FormulaC29H37NO2Si
Molecular Weight459.71 g/mol
Exact Mass459.26
IUPAC Name[(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol
SMILESCC(C)(C)[Si](O[C@@H]1CC[C@@H](CO)[C@H]1NCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37NO2Si/c1-29(2,3)33(25-15-9-5-10-16-25,26-17-11-6-12-18-26)32-27-20-19-24(22-31)28(27)30-21-23-13-7-4-8-14-23/h4-18,24,27-28,30-31H,19-22H2,1-3H3/t24-,27+,28+/m0/s1
InChIKeyYSFYSZQKTFSQJQ-HNPKZYAISA-N
XLogP4.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.71
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 57385481
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
benzyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10719847
[(1S,3S,4S)-3-benzyl-4-[tert-butyl(diphenyl)silyl]oxycyclohexyl] methanesulfonate
CID 140824530
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol
CID 101389307
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol?
The IUPAC name of [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol (CID 10837631) is [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol.
What is the SMILES notation for [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol?
The canonical SMILES for [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol is CC(C)(C)[Si](O[C@@H]1CC[C@@H](CO)[C@H]1NCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol?
The InChIKey is YSFYSZQKTFSQJQ-HNPKZYAISA-N. The full InChI is InChI=1S/C29H37NO2Si/c1-29(2,3)33(25-15-9-5-10-16-25,26-17-11-6-12-18-26)32-27-20-19-24(22-31)28(27)30-21-23-13-7-4-8-14-23/h4-18,24,27-28,30-31H,19-22H2,1-3H3/t24-,27+,28+/m0/s1.
What are the key properties of [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol?
[(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol has a molecular weight of 459.71 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-2-(benzylamino)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]methanol is sourced from PubChem (CID 10837631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).