(3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane

C12H24OSi2 — CID 173207972

IUPAC(3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane
SMILESC[SiH](C)C(C)(O[SiH3])C(C)(C)C1=CCC=C1
InChIInChI=1S/C12H24OSi2/c1-11(2,10-8-6-7-9-10)12(3,13-14)15(4)5/h6,8-9,15H,7H2,1-5,14H3
InChIKeyOWRORWQNFDCVRZ-UHFFFAOYSA-N
MW240.49 g/mol
LogP1.98
Rot. Bonds4

About (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane

(3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane (PubChem CID 173207972) has the molecular formula C12H24OSi2 and a molecular weight of 240.49 g/mol. Its IUPAC name is (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane.

Molecular Properties

Compound Name(3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane
PubChem CID173207972
Molecular FormulaC12H24OSi2
Molecular Weight240.49 g/mol
Exact Mass240.14
IUPAC Name(3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane
SMILESC[SiH](C)C(C)(O[SiH3])C(C)(C)C1=CCC=C1
InChIInChI=1S/C12H24OSi2/c1-11(2,10-8-6-7-9-10)12(3,13-14)15(4)5/h6,8-9,15H,7H2,1-5,14H3
InChIKeyOWRORWQNFDCVRZ-UHFFFAOYSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.49
LogP ≤ 51.98
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

2-cyclopenta-1,4-dien-1-ylpropane-2-thiol
CID 174414235
3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol
CID 87993482
9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 137147855
5-cyclopenta-1,4-dien-1-yl-5-methylhexan-3-one
CID 101438715
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene
CID 142667155
carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)
CID 21052043
(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene
CID 87377152
2-(3-ethylhex-5-en-3-yl)cyclopenta-1,3-diene
CID 137052048
[2-amino-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]propyl] carbamate
CID 91413440
2-(3-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 87447368
2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene
CID 139240478
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene
CID 87976759

Frequently Asked Questions

What is the IUPAC name of (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane?
The IUPAC name of (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane (CID 173207972) is (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane.
What is the SMILES notation for (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane?
The canonical SMILES for (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane is C[SiH](C)C(C)(O[SiH3])C(C)(C)C1=CCC=C1.
What is the InChIKey of (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane?
The InChIKey is OWRORWQNFDCVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi2/c1-11(2,10-8-6-7-9-10)12(3,13-14)15(4)5/h6,8-9,15H,7H2,1-5,14H3.
What are the key properties of (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane?
(3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane has a molecular weight of 240.49 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane is sourced from PubChem (CID 173207972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).