2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane

C14H28O2Si — CID 23439174

IUPAC2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane
SMILESCO[Si](CCC(C)C)(OC)C1CC2CCC1C2
InChIInChI=1S/C14H28O2Si/c1-11(2)7-8-17(15-3,16-4)14-10-12-5-6-13(14)9-12/h11-14H,5-10H2,1-4H3
InChIKeyKEXLTQCBHSHAEQ-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.96
Rot. Bonds6

About 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane

2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane (PubChem CID 23439174) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane
PubChem CID23439174
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane
SMILESCO[Si](CCC(C)C)(OC)C1CC2CCC1C2
InChIInChI=1S/C14H28O2Si/c1-11(2)7-8-17(15-3,16-4)14-10-12-5-6-13(14)9-12/h11-14H,5-10H2,1-4H3
InChIKeyKEXLTQCBHSHAEQ-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.96
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

2-bicyclo[2.2.1]heptanyl-dimethoxy-propan-2-ylsilane
CID 175433722
2-bicyclo[2.2.1]heptanyl-dimethoxy-methylsilane
CID 54452110
2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
CID 91611699
2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane
CID 139668826
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-trimethylsilane
CID 125472918
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl-dimethoxy-(3-methylbutyl)silane
CID 141083233
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
2-bicyclo[2.2.1]heptanyl-[[diethoxy(methyl)silyl]methyl]-ethoxy-methylsilane
CID 140798694
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
acetic acid;2-bicyclo[2.2.1]heptanyl-methoxy-[methoxy(dimethyl)silyl]oxy-methylsilane
CID 90766534
cyclopentyl-diethoxy-(3-methylbutyl)silane
CID 23439172
1-(2-bicyclo[2.2.1]heptanyloxy)propan-2-ol
CID 73302120

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane (CID 23439174) is 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane is CO[Si](CCC(C)C)(OC)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane?
The InChIKey is KEXLTQCBHSHAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-11(2)7-8-17(15-3,16-4)14-10-12-5-6-13(14)9-12/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane?
2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane has a molecular weight of 256.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-dimethoxy-(3-methylbutyl)silane is sourced from PubChem (CID 23439174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).