3,5-dimethylheptan-4-yl(propan-2-yloxy)silane

C12H28OSi — CID 173036670

IUPAC3,5-dimethylheptan-4-yl(propan-2-yloxy)silane
SMILESCCC(C)C([SiH2]OC(C)C)C(C)CC
InChIInChI=1S/C12H28OSi/c1-7-10(5)12(11(6)8-2)14-13-9(3)4/h9-12H,7-8,14H2,1-6H3
InChIKeyINWGPJMOUOPWMM-UHFFFAOYSA-N
MW216.44 g/mol
LogP3.38
Rot. Bonds7

About 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane

3,5-dimethylheptan-4-yl(propan-2-yloxy)silane (PubChem CID 173036670) has the molecular formula C12H28OSi and a molecular weight of 216.44 g/mol. Its IUPAC name is 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane.

Molecular Properties

Compound Name3,5-dimethylheptan-4-yl(propan-2-yloxy)silane
PubChem CID173036670
Molecular FormulaC12H28OSi
Molecular Weight216.44 g/mol
Exact Mass216.19
IUPAC Name3,5-dimethylheptan-4-yl(propan-2-yloxy)silane
SMILESCCC(C)C([SiH2]OC(C)C)C(C)CC
InChIInChI=1S/C12H28OSi/c1-7-10(5)12(11(6)8-2)14-13-9(3)4/h9-12H,7-8,14H2,1-6H3
InChIKeyINWGPJMOUOPWMM-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yloxysilylpropane-1-thiol
CID 173082930
1-propan-2-yloxysilylpropan-1-amine
CID 173191658
1-iodopropyl(propan-2-yloxy)silane
CID 175551642
propan-2-yl(propan-2-yloxy)silane
CID 123565632
butan-2-yloxy(propan-2-yloxy)silane
CID 150607923
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(4R)-3-ethyl-4-methylhexane
CID 59954491
CID 91437014
CID 91437014
copper bis(3-methylpentan-2-olate)
CID 87166052
4-fluoro-3-methyloctane
CID 89416555
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane?
The IUPAC name of 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane (CID 173036670) is 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane.
What is the SMILES notation for 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane?
The canonical SMILES for 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane is CCC(C)C([SiH2]OC(C)C)C(C)CC.
What is the InChIKey of 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane?
The InChIKey is INWGPJMOUOPWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi/c1-7-10(5)12(11(6)8-2)14-13-9(3)4/h9-12H,7-8,14H2,1-6H3.
What are the key properties of 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane?
3,5-dimethylheptan-4-yl(propan-2-yloxy)silane has a molecular weight of 216.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylheptan-4-yl(propan-2-yloxy)silane is sourced from PubChem (CID 173036670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).