dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane

C13H20Si — CID 134970098

IUPACdimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
SMILESC=CC[C@H](C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H20Si/c1-5-9-12(2)14(3,4)13-10-7-6-8-11-13/h5-8,10-12H,1,9H2,2-4H3/t12-/m0/s1
InChIKeyMBXUZQXRYAMUQV-LBPRGKRZSA-N
MW204.39 g/mol
LogP3.57
Rot. Bonds4

About dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane

dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane (PubChem CID 134970098) has the molecular formula C13H20Si and a molecular weight of 204.39 g/mol. Its IUPAC name is dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
PubChem CID134970098
Molecular FormulaC13H20Si
Molecular Weight204.39 g/mol
Exact Mass204.13
IUPAC Namedimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
SMILESC=CC[C@H](C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H20Si/c1-5-9-12(2)14(3,4)13-10-7-6-8-11-13/h5-8,10-12H,1,9H2,2-4H3/t12-/m0/s1
InChIKeyMBXUZQXRYAMUQV-LBPRGKRZSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 53.57
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

butan-2-yl-dimethyl-phenylsilane
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[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
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(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
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dimethyl-[pent-4-en-2-yloxy(diphenyl)silyl]-trimethylsilylsilane
CID 102600490
trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate
CID 11302957
(3R,4R)-3-[dimethyl(phenyl)silyl]-4-formylhept-6-en-1-olate
CID 100971033
bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane
CID 11037167
dimethyl-[(4Z)-2-methylhepta-4,6-dien-3-yl]-phenylsilane
CID 10514472
[(3S)-4,4-dimethylpent-1-en-3-yl]-dimethyl-phenylsilane
CID 71712408
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498
(6-ethenyl-6,8,9-trimethyldec-9-en-2-yl)-dimethyl-phenylsilane
CID 59653718
3-[dimethyl(phenyl)silyl]-3-trimethylsilylpropanal
CID 102292717

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane?
The IUPAC name of dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane (CID 134970098) is dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane.
What is the SMILES notation for dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane?
The canonical SMILES for dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane is C=CC[C@H](C)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane?
The InChIKey is MBXUZQXRYAMUQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20Si/c1-5-9-12(2)14(3,4)13-10-7-6-8-11-13/h5-8,10-12H,1,9H2,2-4H3/t12-/m0/s1.
What are the key properties of dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane?
dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane has a molecular weight of 204.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane is sourced from PubChem (CID 134970098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).