2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane

C19H39NOSi — CID 146019000

IUPAC2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCC1C[C@@]12CCCCN2C)(C(C)C)C(C)C
InChIInChI=1S/C19H39NOSi/c1-15(2)22(16(3)4,17(5)6)21-13-10-18-14-19(18)11-8-9-12-20(19)7/h15-18H,8-14H2,1-7H3/t18?,19-/m0/s1
InChIKeySJCPRLRLHDMJHI-GGYWPGCISA-N
MW325.61 g/mol
LogP5.44
Rot. Bonds7

About 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane

2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane (PubChem CID 146019000) has the molecular formula C19H39NOSi and a molecular weight of 325.61 g/mol. Its IUPAC name is 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane
PubChem CID146019000
Molecular FormulaC19H39NOSi
Molecular Weight325.61 g/mol
Exact Mass325.28
IUPAC Name2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCC1C[C@@]12CCCCN2C)(C(C)C)C(C)C
InChIInChI=1S/C19H39NOSi/c1-15(2)22(16(3)4,17(5)6)21-13-10-18-14-19(18)11-8-9-12-20(19)7/h15-18H,8-14H2,1-7H3/t18?,19-/m0/s1
InChIKeySJCPRLRLHDMJHI-GGYWPGCISA-N
XLogP5.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.61
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane (CID 146019000) is 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane is CC(C)[Si](OCCC1C[C@@]12CCCCN2C)(C(C)C)C(C)C.
What is the InChIKey of 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane?
The InChIKey is SJCPRLRLHDMJHI-GGYWPGCISA-N. The full InChI is InChI=1S/C19H39NOSi/c1-15(2)22(16(3)4,17(5)6)21-13-10-18-14-19(18)11-8-9-12-20(19)7/h15-18H,8-14H2,1-7H3/t18?,19-/m0/s1.
What are the key properties of 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane?
2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane has a molecular weight of 325.61 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 146019000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).