[(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate

C24H41NO4Si — CID 11396426

IUPAC[(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C(C[Si](C)(C)C)[C@@H](OC(=O)N(C(C)C)C(C)C)[C@H](O)[C@H](C)OCc1ccccc1
InChIInChI=1S/C24H41NO4Si/c1-17(2)25(18(3)4)24(27)29-23(19(5)16-30(7,8)9)22(26)20(6)28-15-21-13-11-10-12-14-21/h10-14,17-18,20,22-23,26H,5,15-16H2,1-4,6-9H3/t20-,22+,23+/m0/s1
InChIKeyUYMMRDKGVDQIFV-MDNUFGMLSA-N
MW435.68 g/mol
LogP5.47
Rot. Bonds11

About [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate

[(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 11396426) has the molecular formula C24H41NO4Si and a molecular weight of 435.68 g/mol. Its IUPAC name is [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate
PubChem CID11396426
Molecular FormulaC24H41NO4Si
Molecular Weight435.68 g/mol
Exact Mass435.28
IUPAC Name[(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C(C[Si](C)(C)C)[C@@H](OC(=O)N(C(C)C)C(C)C)[C@H](O)[C@H](C)OCc1ccccc1
InChIInChI=1S/C24H41NO4Si/c1-17(2)25(18(3)4)24(27)29-23(19(5)16-30(7,8)9)22(26)20(6)28-15-21-13-11-10-12-14-21/h10-14,17-18,20,22-23,26H,5,15-16H2,1-4,6-9H3/t20-,22+,23+/m0/s1
InChIKeyUYMMRDKGVDQIFV-MDNUFGMLSA-N
XLogP5.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.68
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate 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

benzyl N-[(4S,5S)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 134834963
Benzyl (R)-(1-((tert-butyldimethylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 15298956
benzyl N,N-bis[2-(2-hydroxyethoxy)ethyl]carbamate
CID 129691077
benzyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-N-(2,2-difluoroethyl)carbamate
CID 169182600
(4S)-2,2-Dimethyl-3-N-cbz-4-(hydroxymethyl)oxazolidine
CID 10967416
(2R)-5-[(2R,5R,6S)-N-(Benzyloxycarbonyl)-6-methyl-5-(triisopropylsiloxy)piperidin-2-yl]-2-hydroxy-4-pentyn-1-yl 2,2-dimethylpropionate
CID 10531431
tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate
CID 10665344
tert-butyl (3S,4R)-3-hydroxy-4-phenylmethoxy-2,3,4,7-tetrahydroazepine-1-carboxylate
CID 10710761
[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate
CID 11279911
(2R)-5-[(2S,3R)-N-(Benzyloxycarbonyl)-2-methyl-3-(triisopropylsiloxy)-1,2,3,4-tetrahydropyridin-6-yl]-2-hydroxy-5-pentyn-1-yl 2,2-dimethylpropionate
CID 11801471
[(3R,4S,5R,16S)-16-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)heptadec-1-en-3-yl] N,N-di(propan-2-yl)carbamate
CID 11988600
tert-butyl N-[(2S,3S)-1-hydroxy-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
CID 12169284

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate (CID 11396426) is [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate is C=C(C[Si](C)(C)C)[C@@H](OC(=O)N(C(C)C)C(C)C)[C@H](O)[C@H](C)OCc1ccccc1.
What is the InChIKey of [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is UYMMRDKGVDQIFV-MDNUFGMLSA-N. The full InChI is InChI=1S/C24H41NO4Si/c1-17(2)25(18(3)4)24(27)29-23(19(5)16-30(7,8)9)22(26)20(6)28-15-21-13-11-10-12-14-21/h10-14,17-18,20,22-23,26H,5,15-16H2,1-4,6-9H3/t20-,22+,23+/m0/s1.
What are the key properties of [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate?
[(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 435.68 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5S)-4-hydroxy-5-phenylmethoxy-2-(trimethylsilylmethyl)hex-1-en-3-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11396426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).