[(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

C34H51NO4Si — CID 11039048

IUPAC[(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESC=C1C[C@H](CCC)O[C@H](CCC)[C@@H]1OC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C34H51NO4Si/c1-9-17-28-25-27(5)32(31(38-28)18-10-2)39-33(36)35(26(3)4)23-24-37-40(34(6,7)8,29-19-13-11-14-20-29)30-21-15-12-16-22-30/h11-16,19-22,26,28,31-32H,5,9-10,17-18,23-25H2,1-4,6-8H3/t28-,31+,32+/m0/s1
InChIKeyHIHZLVYASZTOBE-AVXDPSIRSA-N
MW565.87 g/mol
LogP7.09
Rot. Bonds12

About [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

[(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (PubChem CID 11039048) has the molecular formula C34H51NO4Si and a molecular weight of 565.87 g/mol. Its IUPAC name is [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
PubChem CID11039048
Molecular FormulaC34H51NO4Si
Molecular Weight565.87 g/mol
Exact Mass565.36
IUPAC Name[(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESC=C1C[C@H](CCC)O[C@H](CCC)[C@@H]1OC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C34H51NO4Si/c1-9-17-28-25-27(5)32(31(38-28)18-10-2)39-33(36)35(26(3)4)23-24-37-40(34(6,7)8,29-19-13-11-14-20-29)30-21-15-12-16-22-30/h11-16,19-22,26,28,31-32H,5,9-10,17-18,23-25H2,1-4,6-8H3/t28-,31+,32+/m0/s1
InChIKeyHIHZLVYASZTOBE-AVXDPSIRSA-N
XLogP7.09
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.87
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11113721
[(2R,3S,6R)-4-methylidene-2-[(1S)-1-phenylmethoxyethyl]-6-propyloxan-3-yl] N,N-di(propan-2-yl)carbamate
CID 102400014
(4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
CID 58077855
3-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]propanal
CID 11212760
N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
CID 158723430
(3R,5R)-1-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol
CID 11490586
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
CID 88913790
[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
CID 101031088
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 71489209
(3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one
CID 161322372
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The IUPAC name of [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (CID 11039048) is [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is C=C1C[C@H](CCC)O[C@H](CCC)[C@@H]1OC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The InChIKey is HIHZLVYASZTOBE-AVXDPSIRSA-N. The full InChI is InChI=1S/C34H51NO4Si/c1-9-17-28-25-27(5)32(31(38-28)18-10-2)39-33(36)35(26(3)4)23-24-37-40(34(6,7)8,29-19-13-11-14-20-29)30-21-15-12-16-22-30/h11-16,19-22,26,28,31-32H,5,9-10,17-18,23-25H2,1-4,6-8H3/t28-,31+,32+/m0/s1.
What are the key properties of [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
[(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate has a molecular weight of 565.87 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6S)-4-methylidene-2,6-dipropyloxan-3-yl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 11039048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).