CID 68821160

C18H30NO2Si — CID 68821160

IUPAC—
SMILESCOc1ccc2c(c1)CCN[C@@H]2CC(O[Si](C)C)C(C)(C)C
InChIInChI=1S/C18H30NO2Si/c1-18(2,3)17(21-22(5)6)12-16-15-8-7-14(20-4)11-13(15)9-10-19-16/h7-8,11,16-17,19H,9-10,12H2,1-6H3/t16-,17?/m1/s1
InChIKeyWMVSIVPEYABONN-TZHYSIJRSA-N
MW320.53 g/mol
LogP3.95
Rot. Bonds5

About CID 68821160

CID 68821160 (PubChem CID 68821160) has the molecular formula C18H30NO2Si and a molecular weight of 320.53 g/mol.

Molecular Properties

Compound NameCID 68821160
PubChem CID68821160
Molecular FormulaC18H30NO2Si
Molecular Weight320.53 g/mol
Exact Mass320.20
IUPAC Name—
SMILESCOc1ccc2c(c1)CCN[C@@H]2CC(O[Si](C)C)C(C)(C)C
InChIInChI=1S/C18H30NO2Si/c1-18(2,3)17(21-22(5)6)12-16-15-8-7-14(20-4)11-13(15)9-10-19-16/h7-8,11,16-17,19H,9-10,12H2,1-6H3/t16-,17?/m1/s1
InChIKeyWMVSIVPEYABONN-TZHYSIJRSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 53.95
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

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1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
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6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
CID 106778477
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
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1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106779921
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CID 102340504
1-(3-tert-butyl-4-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3365877
(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10617348
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106780194
4-bromo-2-methoxy-5-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of CID 68821160?
The IUPAC name of CID 68821160 (CID 68821160) is not available.
What is the SMILES notation for CID 68821160?
The canonical SMILES for CID 68821160 is COc1ccc2c(c1)CCN[C@@H]2CC(O[Si](C)C)C(C)(C)C.
What is the InChIKey of CID 68821160?
The InChIKey is WMVSIVPEYABONN-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H30NO2Si/c1-18(2,3)17(21-22(5)6)12-16-15-8-7-14(20-4)11-13(15)9-10-19-16/h7-8,11,16-17,19H,9-10,12H2,1-6H3/t16-,17?/m1/s1.
What are the key properties of CID 68821160?
CID 68821160 has a molecular weight of 320.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68821160 is sourced from PubChem (CID 68821160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).