(3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane

C16H32O3Si — CID 23088418

IUPAC(3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane
SMILESCCCCCCC1CC2([Si](OC)(OC)OC)CCC1C2
InChIInChI=1S/C16H32O3Si/c1-5-6-7-8-9-14-12-16(11-10-15(14)13-16)20(17-2,18-3)19-4/h14-15H,5-13H2,1-4H3
InChIKeyJRXWPMGLDPNIKL-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.40
Rot. Bonds9

About (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane

(3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane (PubChem CID 23088418) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane.

Molecular Properties

Compound Name(3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane
PubChem CID23088418
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name(3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane
SMILESCCCCCCC1CC2([Si](OC)(OC)OC)CCC1C2
InChIInChI=1S/C16H32O3Si/c1-5-6-7-8-9-14-12-16(11-10-15(14)13-16)20(17-2,18-3)19-4/h14-15H,5-13H2,1-4H3
InChIKeyJRXWPMGLDPNIKL-UHFFFAOYSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 91181961
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CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
2-hexyl-4,4-dimethylcyclohexan-1-amine
CID 81013830
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
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2-hexyl-1,1-dimethoxycyclobutane
CID 11412991
1-ethoxy-1-pentyl-4-(4-pentylcyclohexyl)cyclohexane
CID 18597105
4-(4-hexylcyclohexyl)-1-methoxy-1-pentylcyclohexane
CID 18597158
1-ethyl-2,3-dimethyl-4-pentylcyclohexane;octane;pentane
CID 160972744
trans-methyl (1R,2S)-2-hexylcyclopropane-1-carboxylate
CID 12509721

Frequently Asked Questions

What is the IUPAC name of (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane?
The IUPAC name of (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane (CID 23088418) is (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane.
What is the SMILES notation for (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane?
The canonical SMILES for (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane is CCCCCCC1CC2([Si](OC)(OC)OC)CCC1C2.
What is the InChIKey of (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane?
The InChIKey is JRXWPMGLDPNIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-5-6-7-8-9-14-12-16(11-10-15(14)13-16)20(17-2,18-3)19-4/h14-15H,5-13H2,1-4H3.
What are the key properties of (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane?
(3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane has a molecular weight of 300.51 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexyl-1-bicyclo[2.2.1]heptanyl)-trimethoxysilane is sourced from PubChem (CID 23088418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).