4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid

C16H37NO5Si3 — CID 175486727

IUPAC4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid
SMILESCC(O[Si](C)(C)C)C(C=CCNC(=O)O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H37NO5Si3/c1-14(20-23(2,3)4)16(21-24(5,6)7,22-25(8,9)10)12-11-13-17-15(18)19/h11-12,14,17H,13H2,1-10H3,(H,18,19)
InChIKeyLRTPQIALOQCOGP-UHFFFAOYSA-N
MW407.73 g/mol
LogP4.45
Rot. Bonds10

About 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid

4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid (PubChem CID 175486727) has the molecular formula C16H37NO5Si3 and a molecular weight of 407.73 g/mol. Its IUPAC name is 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid.

Molecular Properties

Compound Name4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid
PubChem CID175486727
Molecular FormulaC16H37NO5Si3
Molecular Weight407.73 g/mol
Exact Mass407.20
IUPAC Name4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid
SMILESCC(O[Si](C)(C)C)C(C=CCNC(=O)O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H37NO5Si3/c1-14(20-23(2,3)4)16(21-24(5,6)7,22-25(8,9)10)12-11-13-17-15(18)19/h11-12,14,17H,13H2,1-10H3,(H,18,19)
InChIKeyLRTPQIALOQCOGP-UHFFFAOYSA-N
XLogP4.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.73
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid 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

1,1,2-tris(trimethylsilyloxy)propan-1-ol
CID 87695620
[(Z)-4-chlorobut-2-enyl]carbamic acid
CID 86674104
methyl 2,2-dimethoxy-3-trimethylsilyloxybutanoate
CID 15211449
methanethiol;prop-2-enylcarbamic acid
CID 175464551
ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid
CID 175745297
prop-2-enylcarbamic acid;hydrate
CID 173458484
3-trimethylsilyloxybutanoic acid
CID 11008465
2-trimethylsilyloxybutanoic acid
CID 88616813
3,3,4-tris(trimethylsilyloxy)pent-1-en-2-yl carbamate
CID 89306025
trimethyl-[(2R,3S)-3-phenyl-2-trimethylsilyloxyhex-5-en-3-yl]oxysilane
CID 12066571
2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione
CID 22253510
trimethyl-(2-methyl-1-silyloxysilyl-3-trimethylsilyloxybutan-2-yl)oxysilane
CID 123177509

Frequently Asked Questions

What is the IUPAC name of 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid?
The IUPAC name of 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid (CID 175486727) is 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid.
What is the SMILES notation for 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid?
The canonical SMILES for 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid is CC(O[Si](C)(C)C)C(C=CCNC(=O)O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid?
The InChIKey is LRTPQIALOQCOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO5Si3/c1-14(20-23(2,3)4)16(21-24(5,6)7,22-25(8,9)10)12-11-13-17-15(18)19/h11-12,14,17H,13H2,1-10H3,(H,18,19).
What are the key properties of 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid?
4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid has a molecular weight of 407.73 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-tris(trimethylsilyloxy)hex-2-enylcarbamic acid is sourced from PubChem (CID 175486727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).