(2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol

C10H22OSi — CID 10943201

IUPAC(2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol
SMILESC=C(C)[C@@H]([C@H](C)CO)[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-8(2)10(9(3)7-11)12(4,5)6/h9-11H,1,7H2,2-6H3/t9-,10+/m1/s1
InChIKeyHLGDPULUQSGTAP-ZJUUUORDSA-N
MW186.37 g/mol
LogP2.90
Rot. Bonds4

About (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol

(2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol (PubChem CID 10943201) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol.

Molecular Properties

Compound Name(2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol
PubChem CID10943201
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name(2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol
SMILESC=C(C)[C@@H]([C@H](C)CO)[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-8(2)10(9(3)7-11)12(4,5)6/h9-11H,1,7H2,2-6H3/t9-,10+/m1/s1
InChIKeyHLGDPULUQSGTAP-ZJUUUORDSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol?
The IUPAC name of (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol (CID 10943201) is (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol.
What is the SMILES notation for (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol?
The canonical SMILES for (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol is C=C(C)[C@@H]([C@H](C)CO)[Si](C)(C)C.
What is the InChIKey of (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol?
The InChIKey is HLGDPULUQSGTAP-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22OSi/c1-8(2)10(9(3)7-11)12(4,5)6/h9-11H,1,7H2,2-6H3/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol?
(2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol has a molecular weight of 186.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol is sourced from PubChem (CID 10943201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).