CID 70182718

C28H44NO2Si — CID 70182718

IUPAC—
SMILESCCCCC(O[Si](C)C)c1cccc(O)c1C(CCN(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C28H44NO2Si/c1-8-9-18-27(31-32(6)7)25-16-13-17-26(30)28(25)24(23-14-11-10-12-15-23)19-20-29(21(2)3)22(4)5/h10-17,21-22,24,27,30H,8-9,18-20H2,1-7H3
InChIKeyWINMUYGKNRHPFA-UHFFFAOYSA-N
MW454.75 g/mol
LogP7.53
Rot. Bonds13

About CID 70182718

CID 70182718 (PubChem CID 70182718) has the molecular formula C28H44NO2Si and a molecular weight of 454.75 g/mol.

Molecular Properties

Compound NameCID 70182718
PubChem CID70182718
Molecular FormulaC28H44NO2Si
Molecular Weight454.75 g/mol
Exact Mass454.31
IUPAC Name—
SMILESCCCCC(O[Si](C)C)c1cccc(O)c1C(CCN(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C28H44NO2Si/c1-8-9-18-27(31-32(6)7)25-16-13-17-26(30)28(25)24(23-14-11-10-12-15-23)19-20-29(21(2)3)22(4)5/h10-17,21-22,24,27,30H,8-9,18-20H2,1-7H3
InChIKeyWINMUYGKNRHPFA-UHFFFAOYSA-N
XLogP7.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.75
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
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[2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxy-3-methylphenyl] heptanoate;hydrochloride
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2-(1-phenylpentyl)phenol
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[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol
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2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol
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2-[1-[propan-2-yl(propyl)amino]ethyl]benzene-1,3-diol
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3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 25023480
4-[2-[di(propan-2-yl)amino]ethyl]-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
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2-[1-[pentyl(propan-2-yl)amino]ethyl]benzene-1,3-diol
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2-(1-phenylpentoxy)phenol
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N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757523
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;2-[(1R)-3-[[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 11468528

Frequently Asked Questions

What is the IUPAC name of CID 70182718?
The IUPAC name of CID 70182718 (CID 70182718) is not available.
What is the SMILES notation for CID 70182718?
The canonical SMILES for CID 70182718 is CCCCC(O[Si](C)C)c1cccc(O)c1C(CCN(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of CID 70182718?
The InChIKey is WINMUYGKNRHPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44NO2Si/c1-8-9-18-27(31-32(6)7)25-16-13-17-26(30)28(25)24(23-14-11-10-12-15-23)19-20-29(21(2)3)22(4)5/h10-17,21-22,24,27,30H,8-9,18-20H2,1-7H3.
What are the key properties of CID 70182718?
CID 70182718 has a molecular weight of 454.75 g/mol, XLogP of 7.53, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70182718 is sourced from PubChem (CID 70182718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).