[(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate

C17H35NO3Si — CID 135050712

IUPAC[(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)[C@H](O)[C@@H](/C=C/OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-12(2)16(19)15(22(7,8)9)10-11-21-17(20)18(13(3)4)14(5)6/h10-16,19H,1-9H3/b11-10+/t15-,16+/m1/s1
InChIKeyQMHYBHUYYODASD-PCCNWKQFSA-N
MW329.56 g/mol
LogP4.48
Rot. Bonds7

About [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate

[(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 135050712) has the molecular formula C17H35NO3Si and a molecular weight of 329.56 g/mol. Its IUPAC name is [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID135050712
Molecular FormulaC17H35NO3Si
Molecular Weight329.56 g/mol
Exact Mass329.24
IUPAC Name[(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)[C@H](O)[C@@H](/C=C/OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-12(2)16(19)15(22(7,8)9)10-11-21-17(20)18(13(3)4)14(5)6/h10-16,19H,1-9H3/b11-10+/t15-,16+/m1/s1
InChIKeyQMHYBHUYYODASD-PCCNWKQFSA-N
XLogP4.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(Z,3S,4S)-4-hydroxy-3,5,5-trimethylhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 101418704
[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 12031137
[(Z,3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 11133718
[(Z,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-3-methylhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 11003928
[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 13329873
methyl (Z,2R)-4-[di(propan-2-yl)carbamoyloxy]-2-phenylbut-3-enoate
CID 100924638
2-cyclohexylprop-1-enyl N,N-di(propan-2-yl)carbamate
CID 71378000
[(Z)-4-hydroxy-3,3-dimethyl-4-phenylpent-1-enyl] N,N-di(propan-2-yl)carbamate
CID 134902915
[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 12901919
[(E)-[(2S)-2-[(1R)-1-hydroxy-2-methylpropyl]-2-methylcyclohexylidene]methyl] N,N-di(propan-2-yl)carbamate
CID 134905498
[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
CID 23631775
[(4S,5S)-5-(dibenzylamino)-4-hydroxy-6-phenyl-3-trimethylsilylhexa-1,2-dienyl] N,N-di(propan-2-yl)carbamate
CID 12066981

Frequently Asked Questions

What is the IUPAC name of [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate (CID 135050712) is [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate is CC(C)[C@H](O)[C@@H](/C=C/OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C.
What is the InChIKey of [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is QMHYBHUYYODASD-PCCNWKQFSA-N. The full InChI is InChI=1S/C17H35NO3Si/c1-12(2)16(19)15(22(7,8)9)10-11-21-17(20)18(13(3)4)14(5)6/h10-16,19H,1-9H3/b11-10+/t15-,16+/m1/s1.
What are the key properties of [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate?
[(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 329.56 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3R,4S)-4-hydroxy-5-methyl-3-trimethylsilylhex-1-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 135050712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).