[(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate

C18H27NO3Si — CID 10616670

IUPAC[(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate
SMILESC=C[C@H](OC(=O)Nc1ccccc1)[C@H](C)/C(=C/C)O[Si](C)(C)C
InChIInChI=1S/C18H27NO3Si/c1-7-16(14(3)17(8-2)22-23(4,5)6)21-18(20)19-15-12-10-9-11-13-15/h7-14,16H,1H2,2-6H3,(H,19,20)/b17-8-/t14-,16-/m0/s1
InChIKeyJBLLIFBSMKBUIU-SGHSCFDHSA-N
MW333.50 g/mol
LogP5.18
Rot. Bonds7

About [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate

[(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate (PubChem CID 10616670) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate
PubChem CID10616670
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name[(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate
SMILESC=C[C@H](OC(=O)Nc1ccccc1)[C@H](C)/C(=C/C)O[Si](C)(C)C
InChIInChI=1S/C18H27NO3Si/c1-7-16(14(3)17(8-2)22-23(4,5)6)21-18(20)19-15-12-10-9-11-13-15/h7-14,16H,1H2,2-6H3,(H,19,20)/b17-8-/t14-,16-/m0/s1
InChIKeyJBLLIFBSMKBUIU-SGHSCFDHSA-N
XLogP5.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.50
LogP ≤ 55.18
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1,1,1-trifluoropropan-2-yl N-phenylcarbamate
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methyl 3-methyl-2-(phenylcarbamoyloxy)but-3-enoate
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CID 68594224
CID 68594224
6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate
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3-methylbutyl N-phenylcarbamate
CID 69480810
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
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ethyl N-phenylcarbamate;2-prop-2-enylphenol
CID 70514536

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate?
The IUPAC name of [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate (CID 10616670) is [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate.
What is the SMILES notation for [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate?
The canonical SMILES for [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate is C=C[C@H](OC(=O)Nc1ccccc1)[C@H](C)/C(=C/C)O[Si](C)(C)C.
What is the InChIKey of [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate?
The InChIKey is JBLLIFBSMKBUIU-SGHSCFDHSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-7-16(14(3)17(8-2)22-23(4,5)6)21-18(20)19-15-12-10-9-11-13-15/h7-14,16H,1H2,2-6H3,(H,19,20)/b17-8-/t14-,16-/m0/s1.
What are the key properties of [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate?
[(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate has a molecular weight of 333.50 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate is sourced from PubChem (CID 10616670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).