CID 142485618

C32H50N2O5Si- — CID 142485618

IUPAC—
SMILESCC(CC[C@@H](CO[Si-](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C32H50N2O5Si/c1-24(33-28(35)38-30(2,3)4)21-22-25(34-29(36)39-31(5,6)7)23-37-40(32(8,9)10,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,24-25H,21-23H2,1-10H3,(H,33,35)(H,34,36)/q-1/t24?,25-/m0/s1
InChIKeyZVLNPGCIWZEVOP-BBMPLOMVSA-N
MW570.85 g/mol
LogP6.15
Rot. Bonds10

About CID 142485618

CID 142485618 (PubChem CID 142485618) has the molecular formula C32H50N2O5Si- and a molecular weight of 570.85 g/mol.

Molecular Properties

Compound NameCID 142485618
PubChem CID142485618
Molecular FormulaC32H50N2O5Si-
Molecular Weight570.85 g/mol
Exact Mass570.35
IUPAC Name—
SMILESCC(CC[C@@H](CO[Si-](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C32H50N2O5Si/c1-24(33-28(35)38-30(2,3)4)21-22-25(34-29(36)39-31(5,6)7)23-37-40(32(8,9)10,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,24-25H,21-23H2,1-10H3,(H,33,35)(H,34,36)/q-1/t24?,25-/m0/s1
InChIKeyZVLNPGCIWZEVOP-BBMPLOMVSA-N
XLogP6.15
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.85
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
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tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)heptadecan-2-yl]carbamate
CID 162646706
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 162651894
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)pentan-2-yl]carbamate
CID 12111289
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-3-methylbutan-2-yl]carbamate
CID 12111347
tert-butyl N-[(Z)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluorooct-5-en-4-yl]carbamate
CID 178342467
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
trans-4-amino-1-tert-butoxycarbonyl(2S)-(tert-butyldiphenylsilyloxy)methylpyrrolidine
CID 69332987
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
Tert-butyl 3-(tert-butyldiphenylsilyloxy)-1,1,1-trifluoropropan-2-ylcarbamate
CID 68294202

Frequently Asked Questions

What is the IUPAC name of CID 142485618?
The IUPAC name of CID 142485618 (CID 142485618) is not available.
What is the SMILES notation for CID 142485618?
The canonical SMILES for CID 142485618 is CC(CC[C@@H](CO[Si-](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of CID 142485618?
The InChIKey is ZVLNPGCIWZEVOP-BBMPLOMVSA-N. The full InChI is InChI=1S/C32H50N2O5Si/c1-24(33-28(35)38-30(2,3)4)21-22-25(34-29(36)39-31(5,6)7)23-37-40(32(8,9)10,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,24-25H,21-23H2,1-10H3,(H,33,35)(H,34,36)/q-1/t24?,25-/m0/s1.
What are the key properties of CID 142485618?
CID 142485618 has a molecular weight of 570.85 g/mol, XLogP of 6.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142485618 is sourced from PubChem (CID 142485618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).