(5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol

C15H32O2Si — CID 135041465

IUPAC(5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol
SMILESCCCCC(O)/C(=C/[Si](C)(C)C)CC(O)C(C)C
InChIInChI=1S/C15H32O2Si/c1-7-8-9-14(16)13(11-18(4,5)6)10-15(17)12(2)3/h11-12,14-17H,7-10H2,1-6H3/b13-11+
InChIKeyFXPOGSVHTXSDJG-ACCUITESSA-N
MW272.50 g/mol
LogP3.75
Rot. Bonds8

About (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol

(5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol (PubChem CID 135041465) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol.

Molecular Properties

Compound Name(5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol
PubChem CID135041465
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol
SMILESCCCCC(O)/C(=C/[Si](C)(C)C)CC(O)C(C)C
InChIInChI=1S/C15H32O2Si/c1-7-8-9-14(16)13(11-18(4,5)6)10-15(17)12(2)3/h11-12,14-17H,7-10H2,1-6H3/b13-11+
InChIKeyFXPOGSVHTXSDJG-ACCUITESSA-N
XLogP3.75
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 ≤ 53.75
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 (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol?
The IUPAC name of (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol (CID 135041465) is (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol.
What is the SMILES notation for (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol?
The canonical SMILES for (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol is CCCCC(O)/C(=C/[Si](C)(C)C)CC(O)C(C)C.
What is the InChIKey of (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol?
The InChIKey is FXPOGSVHTXSDJG-ACCUITESSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-7-8-9-14(16)13(11-18(4,5)6)10-15(17)12(2)3/h11-12,14-17H,7-10H2,1-6H3/b13-11+.
What are the key properties of (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol?
(5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol has a molecular weight of 272.50 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methyl-5-(trimethylsilylmethylidene)decane-3,6-diol is sourced from PubChem (CID 135041465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).