[4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane

C27H56OSiSn — CID 11800661

IUPAC[4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane
SMILESC=C(CCOC(C1CCCCC1)[Sn](CCCC)(CCCC)CCCC)C[Si](C)(C)C
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-14(13-17(2,3)4)10-11-16-12-15-8-6-5-7-9-15;3*1-3-4-2;/h12,15H,1,5-11,13H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyMHYNEDZCMKHWIR-UHFFFAOYSA-N
MW543.54 g/mol
LogP9.62
Rot. Bonds17

About [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane

[4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane (PubChem CID 11800661) has the molecular formula C27H56OSiSn and a molecular weight of 543.54 g/mol. Its IUPAC name is [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane
PubChem CID11800661
Molecular FormulaC27H56OSiSn
Molecular Weight543.54 g/mol
Exact Mass544.31
IUPAC Name[4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane
SMILESC=C(CCOC(C1CCCCC1)[Sn](CCCC)(CCCC)CCCC)C[Si](C)(C)C
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-14(13-17(2,3)4)10-11-16-12-15-8-6-5-7-9-15;3*1-3-4-2;/h12,15H,1,5-11,13H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyMHYNEDZCMKHWIR-UHFFFAOYSA-N
XLogP9.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.54
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane
CID 11134330
tributyl-[cyclopropyl(methoxy)methyl]stannane
CID 68528396
butoxy(cyclohexyl)methanol
CID 89347064
N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine
CID 11026878
(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol
CID 177418456
dibutyl-(1-cyclohexylbutyl)-methylstannane
CID 150183423
1-cyclohexyl-2-methylidenedodecan-1-ol
CID 101237279
1-propoxyethylcyclopentane
CID 159612357
tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate
CID 15164410
(1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol
CID 121465824
butan-2-ylcyclohexane;heptane
CID 143477095
(1-ethoxy-2-methylprop-2-enyl)cyclohexane
CID 139654619

Frequently Asked Questions

What is the IUPAC name of [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane?
The IUPAC name of [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane (CID 11800661) is [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane.
What is the SMILES notation for [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane?
The canonical SMILES for [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane is C=C(CCOC(C1CCCCC1)[Sn](CCCC)(CCCC)CCCC)C[Si](C)(C)C.
What is the InChIKey of [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane?
The InChIKey is MHYNEDZCMKHWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29OSi.3C4H9.Sn/c1-14(13-17(2,3)4)10-11-16-12-15-8-6-5-7-9-15;3*1-3-4-2;/h12,15H,1,5-11,13H2,2-4H3;3*1,3-4H2,2H3;.
What are the key properties of [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane?
[4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane has a molecular weight of 543.54 g/mol, XLogP of 9.62, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclohexyl(tributylstannyl)methoxy]-2-methylidenebutyl]-trimethylsilane is sourced from PubChem (CID 11800661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).