[(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane

C30H63ClSi — CID 129406510

IUPAC[(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane
SMILESCCCCCCCCCCCCCC[C@H](CCCCCCCCCCCC)[C@@H](Cl)[SiH](C)C
InChIInChI=1S/C30H63ClSi/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(30(31)32(3)4)27-25-23-21-19-16-14-12-10-8-6-2/h29-30,32H,5-28H2,1-4H3/t29-,30-/m0/s1
InChIKeyROGGTOFSFBCHBF-KYJUHHDHSA-N
MW487.37 g/mol
LogP11.64
Rot. Bonds26

About [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane

[(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane (PubChem CID 129406510) has the molecular formula C30H63ClSi and a molecular weight of 487.37 g/mol. Its IUPAC name is [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane
PubChem CID129406510
Molecular FormulaC30H63ClSi
Molecular Weight487.37 g/mol
Exact Mass486.44
IUPAC Name[(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane
SMILESCCCCCCCCCCCCCC[C@H](CCCCCCCCCCCC)[C@@H](Cl)[SiH](C)C
InChIInChI=1S/C30H63ClSi/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(30(31)32(3)4)27-25-23-21-19-16-14-12-10-8-6-2/h29-30,32H,5-28H2,1-4H3/t29-,30-/m0/s1
InChIKeyROGGTOFSFBCHBF-KYJUHHDHSA-N
XLogP11.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.37
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R)-1-chloro-2-dodecylhexadecyl]-dimethylsilane
CID 129406507
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
1-chlorohexyl(dimethyl)silane
CID 161487514
8,9-dibutylhexadecane
CID 530025
(5S)-5-[chloro(iodo)methyl]dodecane
CID 167141279
9,10-diethyloctadecane
CID 530164
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
11-octadecan-9-yl-10,12-dioctylhenicosane
CID 91046537
17-chlorotritriacontane
CID 87852962
7,8-dipropyltetradecane
CID 530307

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane?
The IUPAC name of [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane (CID 129406510) is [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane.
What is the SMILES notation for [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane?
The canonical SMILES for [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane is CCCCCCCCCCCCCC[C@H](CCCCCCCCCCCC)[C@@H](Cl)[SiH](C)C.
What is the InChIKey of [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane?
The InChIKey is ROGGTOFSFBCHBF-KYJUHHDHSA-N. The full InChI is InChI=1S/C30H63ClSi/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(30(31)32(3)4)27-25-23-21-19-16-14-12-10-8-6-2/h29-30,32H,5-28H2,1-4H3/t29-,30-/m0/s1.
What are the key properties of [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane?
[(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane has a molecular weight of 487.37 g/mol, XLogP of 11.64, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-chloro-2-dodecylhexadecyl]-dimethylsilane is sourced from PubChem (CID 129406510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).