9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid

C30H45NO5Si — CID 138985529

IUPAC9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid
SMILESCC(C)(C)OC(=O)NC(CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C30H45NO5Si/c1-29(2,3)36-28(34)31-26(27(32)33)22-16-8-7-9-17-23-35-37(30(4,5)6,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21,26H,7-9,16-17,22-23H2,1-6H3,(H,31,34)(H,32,33)
InChIKeyILAHABFZFGBZNM-UHFFFAOYSA-N
MW527.78 g/mol
LogP5.88
Rot. Bonds13

About 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid

9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid (PubChem CID 138985529) has the molecular formula C30H45NO5Si and a molecular weight of 527.78 g/mol. Its IUPAC name is 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid.

Molecular Properties

Compound Name9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid
PubChem CID138985529
Molecular FormulaC30H45NO5Si
Molecular Weight527.78 g/mol
Exact Mass527.31
IUPAC Name9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid
SMILESCC(C)(C)OC(=O)NC(CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C30H45NO5Si/c1-29(2,3)36-28(34)31-26(27(32)33)22-16-8-7-9-17-23-35-37(30(4,5)6,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21,26H,7-9,16-17,22-23H2,1-6H3,(H,31,34)(H,32,33)
InChIKeyILAHABFZFGBZNM-UHFFFAOYSA-N
XLogP5.88
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.78
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic 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

tert-butyl N-[(2S)-15-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentadecan-2-yl]carbamate
CID 162511256
tert-butyl N-[6-[tert-butyl(diphenyl)silyl]oxyhexan-2-ylamino]carbamate
CID 59734160
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
tert-butyl (3R)-17-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecanoate
CID 11365406
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenoxypentanoic acid
CID 10086647
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
9-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonyl]nonanoic acid;trimethyl(trifluoromethyl)silane
CID 91123549
3-O-benzyl 1-O-tert-butyl 2-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]propanedioate
CID 166561326
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
tert-butyl N-[(3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphoryl-2-oxopentan-3-yl]carbamate
CID 101226017
tert-butyl 8-[tert-butyl(diphenyl)silyl]oxy-2-(2,2-dimethylpropyl)octanoate;trimethyl(trifluoromethyl)silane
CID 90846905
tert-butyl N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(1R,2R)-2-hydroxycyclopentyl]propyl]carbamate
CID 157218983

Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid?
The IUPAC name of 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid (CID 138985529) is 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid.
What is the SMILES notation for 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid?
The canonical SMILES for 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid is CC(C)(C)OC(=O)NC(CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid?
The InChIKey is ILAHABFZFGBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO5Si/c1-29(2,3)36-28(34)31-26(27(32)33)22-16-8-7-9-17-23-35-37(30(4,5)6,24-18-12-10-13-19-24)25-20-14-11-15-21-25/h10-15,18-21,26H,7-9,16-17,22-23H2,1-6H3,(H,31,34)(H,32,33).
What are the key properties of 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid?
9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid has a molecular weight of 527.78 g/mol, XLogP of 5.88, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid is sourced from PubChem (CID 138985529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).