1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane

C12H22Si — CID 14004181

IUPAC1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1CCC2C=CCC21
InChIInChI=1S/C12H22Si/c1-13(2,3)9-11-8-7-10-5-4-6-12(10)11/h4-5,10-12H,6-9H2,1-3H3
InChIKeyPUZNKCQPZKOGCC-UHFFFAOYSA-N
MW194.39 g/mol
LogP3.93
Rot. Bonds2

About 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane

1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane (PubChem CID 14004181) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol. Its IUPAC name is 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane.

Molecular Properties

Compound Name1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane
PubChem CID14004181
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1CCC2C=CCC21
InChIInChI=1S/C12H22Si/c1-13(2,3)9-11-8-7-10-5-4-6-12(10)11/h4-5,10-12H,6-9H2,1-3H3
InChIKeyPUZNKCQPZKOGCC-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(2-(Bicyclo[2.2.1]hept-5-en-2-yl)ethyl)chlorodimethylsilane
CID 3353303
Silane, triethyl-5-norbornen-2-yl-
CID 574755
Silane, bicyclo[2.2.1]hept-5-en-2-yltrimethyl-
CID 10329681
5-Norbornen-2-yl(ethyl)chlorodimethylsilane, mixture of endo and exo
CID 71311221
3-Methyl-1,2,3,3a,4,6a-hexahydropentalene
CID 14004179
Trimethylsilylnorbornene
CID 66700380
trimethyl-[2-[(1S,2S)-2-[(Z)-pent-2-enyl]cyclopentyl]ethynyl]silane
CID 10421557
5-[(Methylsilacyclobutyl)methyl]norbornene
CID 85667010
7-Trimethylsilylbicyclo[2,2,1]hept-2-ene
CID 129688877
1-Trimethylsilyl-methylbicyclo[3.2.0]hept-6-ene
CID 129694521
(Methyldiisopropylsilyl)norbornene
CID 129773620
2-Bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione
CID 134881533

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane?
The IUPAC name of 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane (CID 14004181) is 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane.
What is the SMILES notation for 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane?
The canonical SMILES for 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane is C[Si](C)(C)CC1CCC2C=CCC21.
What is the InChIKey of 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane?
The InChIKey is PUZNKCQPZKOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-13(2,3)9-11-8-7-10-5-4-6-12(10)11/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane?
1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane has a molecular weight of 194.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,6,6a-hexahydropentalen-1-ylmethyl(trimethyl)silane is sourced from PubChem (CID 14004181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).