[1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane

C16H32O2Si — CID 174437118

IUPAC[1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane
SMILESCCO[SiH](OCC)C(C(C)CC)C1CC2CCC1C2
InChIInChI=1S/C16H32O2Si/c1-5-12(4)16(19(17-6-2)18-7-3)15-11-13-8-9-14(15)10-13/h12-16,19H,5-11H2,1-4H3
InChIKeyMQPWZVMPQJHFSH-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.13
Rot. Bonds8

About [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane

[1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane (PubChem CID 174437118) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane
PubChem CID174437118
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name[1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane
SMILESCCO[SiH](OCC)C(C(C)CC)C1CC2CCC1C2
InChIInChI=1S/C16H32O2Si/c1-5-12(4)16(19(17-6-2)18-7-3)15-11-13-8-9-14(15)10-13/h12-16,19H,5-11H2,1-4H3
InChIKeyMQPWZVMPQJHFSH-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxypropan-1-amine
CID 65176203
ethyl N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98277095
2-pentan-3-ylbicyclo[3.2.1]octane
CID 90865364
2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
CID 91611699
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
CID 4078136
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
CID 113383565
[1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentyl]hydrazine
CID 105266865

Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane (CID 174437118) is [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane is CCO[SiH](OCC)C(C(C)CC)C1CC2CCC1C2.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane?
The InChIKey is MQPWZVMPQJHFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-5-12(4)16(19(17-6-2)18-7-3)15-11-13-8-9-14(15)10-13/h12-16,19H,5-11H2,1-4H3.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane?
[1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane has a molecular weight of 284.52 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bicyclo[2.2.1]heptanyl)-2-methylbutyl]-diethoxysilane is sourced from PubChem (CID 174437118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).