(1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol

C16H32O2Si — CID 102172214

IUPAC(1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol
SMILESCC(C)[C@@H](O)/C(=C\[Si](C)(C)C)[C@@H](O)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-12(2)15(17)14(11-19(3,4)5)16(18)13-9-7-6-8-10-13/h11-13,15-18H,6-10H2,1-5H3/b14-11+/t15-,16+/m1/s1
InChIKeyIAGWEWUQRNAXOW-MEDRYPNSSA-N
MW284.52 g/mol
LogP3.75
Rot. Bonds5

About (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol

(1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol (PubChem CID 102172214) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol.

Molecular Properties

Compound Name(1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol
PubChem CID102172214
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol
SMILESCC(C)[C@@H](O)/C(=C\[Si](C)(C)C)[C@@H](O)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-12(2)15(17)14(11-19(3,4)5)16(18)13-9-7-6-8-10-13/h11-13,15-18H,6-10H2,1-5H3/b14-11+/t15-,16+/m1/s1
InChIKeyIAGWEWUQRNAXOW-MEDRYPNSSA-N
XLogP3.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
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 (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol?
The IUPAC name of (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol (CID 102172214) is (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol.
What is the SMILES notation for (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol?
The canonical SMILES for (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol is CC(C)[C@@H](O)/C(=C\[Si](C)(C)C)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol?
The InChIKey is IAGWEWUQRNAXOW-MEDRYPNSSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-12(2)15(17)14(11-19(3,4)5)16(18)13-9-7-6-8-10-13/h11-13,15-18H,6-10H2,1-5H3/b14-11+/t15-,16+/m1/s1.
What are the key properties of (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol?
(1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol has a molecular weight of 284.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol is sourced from PubChem (CID 102172214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).