(1-cycloheptyl-3-methylbutyl)-diethoxysilane

C16H34O2Si — CID 123281482

IUPAC(1-cycloheptyl-3-methylbutyl)-diethoxysilane
SMILESCCO[SiH](OCC)C(CC(C)C)C1CCCCCC1
InChIInChI=1S/C16H34O2Si/c1-5-17-19(18-6-2)16(13-14(3)4)15-11-9-7-8-10-12-15/h14-16,19H,5-13H2,1-4H3
InChIKeyVRHDKNCLJFVHFP-UHFFFAOYSA-N
MW286.53 g/mol
LogP4.67
Rot. Bonds8

About (1-cycloheptyl-3-methylbutyl)-diethoxysilane

(1-cycloheptyl-3-methylbutyl)-diethoxysilane (PubChem CID 123281482) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (1-cycloheptyl-3-methylbutyl)-diethoxysilane.

Molecular Properties

Compound Name(1-cycloheptyl-3-methylbutyl)-diethoxysilane
PubChem CID123281482
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(1-cycloheptyl-3-methylbutyl)-diethoxysilane
SMILESCCO[SiH](OCC)C(CC(C)C)C1CCCCCC1
InChIInChI=1S/C16H34O2Si/c1-5-17-19(18-6-2)16(13-14(3)4)15-11-9-7-8-10-12-15/h14-16,19H,5-13H2,1-4H3
InChIKeyVRHDKNCLJFVHFP-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.67
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-cyclopropyl-3-methylbutyl)-diethoxysilane
CID 123461321
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992
[(4R)-2-methylheptan-4-yl]cyclohexane
CID 140562614
[cyclohexyl(diethoxysilyl)methyl]-(cyclohexylmethyl)-diethoxysilane
CID 123752911
1-cyclohexyl-1-ethoxy-3,5-dimethylhexan-2-amine
CID 114284903
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 59085001
1,1-diethoxypropan-2-ylcyclohexane
CID 14745336
cyclohexyl-cyclopentyl-ethoxysilane
CID 151835803
N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
CID 81386949

Frequently Asked Questions

What is the IUPAC name of (1-cycloheptyl-3-methylbutyl)-diethoxysilane?
The IUPAC name of (1-cycloheptyl-3-methylbutyl)-diethoxysilane (CID 123281482) is (1-cycloheptyl-3-methylbutyl)-diethoxysilane.
What is the SMILES notation for (1-cycloheptyl-3-methylbutyl)-diethoxysilane?
The canonical SMILES for (1-cycloheptyl-3-methylbutyl)-diethoxysilane is CCO[SiH](OCC)C(CC(C)C)C1CCCCCC1.
What is the InChIKey of (1-cycloheptyl-3-methylbutyl)-diethoxysilane?
The InChIKey is VRHDKNCLJFVHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-5-17-19(18-6-2)16(13-14(3)4)15-11-9-7-8-10-12-15/h14-16,19H,5-13H2,1-4H3.
What are the key properties of (1-cycloheptyl-3-methylbutyl)-diethoxysilane?
(1-cycloheptyl-3-methylbutyl)-diethoxysilane has a molecular weight of 286.53 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cycloheptyl-3-methylbutyl)-diethoxysilane is sourced from PubChem (CID 123281482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).