[1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane

C19H38O2Si — CID 173197514

IUPAC[1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane
SMILESCCCO[SiH](OCCC)C1(C2CCCC(C)C2)CCCCC1
InChIInChI=1S/C19H38O2Si/c1-4-14-20-22(21-15-5-2)19(12-7-6-8-13-19)18-11-9-10-17(3)16-18/h17-18,22H,4-16H2,1-3H3
InChIKeyWJKQRHYAICUEBG-UHFFFAOYSA-N
MW326.60 g/mol
LogP5.59
Rot. Bonds8

About [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane

[1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane (PubChem CID 173197514) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane.

Molecular Properties

Compound Name[1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane
PubChem CID173197514
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name[1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane
SMILESCCCO[SiH](OCCC)C1(C2CCCC(C)C2)CCCCC1
InChIInChI=1S/C19H38O2Si/c1-4-14-20-22(21-15-5-2)19(12-7-6-8-13-19)18-11-9-10-17(3)16-18/h17-18,22H,4-16H2,1-3H3
InChIKeyWJKQRHYAICUEBG-UHFFFAOYSA-N
XLogP5.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.59
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

[1-(3,5-dimethylcyclohexyl)cyclohexyl]-diethoxysilane
CID 173197530
[1-(3,5-dimethylcyclohexyl)cyclohexyl]-dimethoxysilane
CID 173107708
dimethoxy-[1-(4-methylcyclohexyl)cyclopentyl]silane
CID 173107757
2-[1-[(1S,3R)-3-methylcyclohexyl]cyclohexyl]propanedinitrile
CID 101485758
2-cyclopropyl-2-(3-methylcyclohexyl)azepane
CID 79117657
1-propoxycyclohexan-1-ol
CID 54523589
[1-(3-methylcyclohexyl)oxycyclopentyl]methanamine
CID 62111227
1,1-dipropoxycyclodecane
CID 89439642
(1R)-1,3-dimethylcyclohexane
CID 12594306
cyclooctane;methylcyclobutane
CID 159456217
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
(1-ethylcyclopentyl)-(3-methylcyclohexyl)methanol
CID 115808264

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane?
The IUPAC name of [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane (CID 173197514) is [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane.
What is the SMILES notation for [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane?
The canonical SMILES for [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane is CCCO[SiH](OCCC)C1(C2CCCC(C)C2)CCCCC1.
What is the InChIKey of [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane?
The InChIKey is WJKQRHYAICUEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-4-14-20-22(21-15-5-2)19(12-7-6-8-13-19)18-11-9-10-17(3)16-18/h17-18,22H,4-16H2,1-3H3.
What are the key properties of [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane?
[1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane has a molecular weight of 326.60 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylcyclohexyl)cyclohexyl]-dipropoxysilane is sourced from PubChem (CID 173197514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).