(4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol

C15H32O2Si — CID 134964655

IUPAC(4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol
SMILESCCCC[C@](C)(O)/C(=C/[Si](C)(C)C)[C@H](O)CCC
InChIInChI=1S/C15H32O2Si/c1-7-9-11-15(3,17)13(12-18(4,5)6)14(16)10-8-2/h12,14,16-17H,7-11H2,1-6H3/b13-12+/t14-,15+/m1/s1
InChIKeyLKIASUFGTOQPGO-WCVFXIOZSA-N
MW272.50 g/mol
LogP3.89
Rot. Bonds8

About (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol

(4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol (PubChem CID 134964655) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol.

Molecular Properties

Compound Name(4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol
PubChem CID134964655
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol
SMILESCCCC[C@](C)(O)/C(=C/[Si](C)(C)C)[C@H](O)CCC
InChIInChI=1S/C15H32O2Si/c1-7-9-11-15(3,17)13(12-18(4,5)6)14(16)10-8-2/h12,14,16-17H,7-11H2,1-6H3/b13-12+/t14-,15+/m1/s1
InChIKeyLKIASUFGTOQPGO-WCVFXIOZSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol?
The IUPAC name of (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol (CID 134964655) is (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol.
What is the SMILES notation for (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol?
The canonical SMILES for (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol is CCCC[C@](C)(O)/C(=C/[Si](C)(C)C)[C@H](O)CCC.
What is the InChIKey of (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol?
The InChIKey is LKIASUFGTOQPGO-WCVFXIOZSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-7-9-11-15(3,17)13(12-18(4,5)6)14(16)10-8-2/h12,14,16-17H,7-11H2,1-6H3/b13-12+/t14-,15+/m1/s1.
What are the key properties of (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol?
(4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol has a molecular weight of 272.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E,6S)-6-methyl-5-(trimethylsilylmethylidene)decane-4,6-diol is sourced from PubChem (CID 134964655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).