(2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol

C12H26OSi — CID 71446396

IUPAC(2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol
SMILESC=C(C[Si](C)(C)C)[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C12H26OSi/c1-10(8-13)7-11(2)12(3)9-14(4,5)6/h10-11,13H,3,7-9H2,1-2,4-6H3/t10-,11+/m1/s1
InChIKeyGCXRXTOGAWUCKS-MNOVXSKESA-N
MW214.42 g/mol
LogP3.54
Rot. Bonds6

About (2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol

(2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol (PubChem CID 71446396) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is (2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol.

Molecular Properties

Compound Name(2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol
PubChem CID71446396
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol
SMILESC=C(C[Si](C)(C)C)[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C12H26OSi/c1-10(8-13)7-11(2)12(3)9-14(4,5)6/h10-11,13H,3,7-9H2,1-2,4-6H3/t10-,11+/m1/s1
InChIKeyGCXRXTOGAWUCKS-MNOVXSKESA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.54
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,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol?
The IUPAC name of (2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol (CID 71446396) is (2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol.
What is the SMILES notation for (2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol?
The canonical SMILES for (2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol is C=C(C[Si](C)(C)C)[C@@H](C)C[C@@H](C)CO.
What is the InChIKey of (2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol?
The InChIKey is GCXRXTOGAWUCKS-MNOVXSKESA-N. The full InChI is InChI=1S/C12H26OSi/c1-10(8-13)7-11(2)12(3)9-14(4,5)6/h10-11,13H,3,7-9H2,1-2,4-6H3/t10-,11+/m1/s1.
What are the key properties of (2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol?
(2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol has a molecular weight of 214.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-1-ol is sourced from PubChem (CID 71446396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).