trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol

C12H24O2Si — CID 101332586

IUPACtrans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol
SMILESCC1(C)C[C@@H](CO)/C(=C\[Si](C)(C)C)[C@@H]1O
InChIInChI=1S/C12H24O2Si/c1-12(2)6-9(7-13)10(11(12)14)8-15(3,4)5/h8-9,11,13-14H,6-7H2,1-5H3/b10-8+/t9-,11-/m0/s1
InChIKeyZFMVSKIEMKTFJN-FBIFYRRTSA-N
MW228.41 g/mol
LogP2.19
Rot. Bonds2

About trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol

trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol (PubChem CID 101332586) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol
PubChem CID101332586
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametrans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol
SMILESCC1(C)C[C@@H](CO)/C(=C\[Si](C)(C)C)[C@@H]1O
InChIInChI=1S/C12H24O2Si/c1-12(2)6-9(7-13)10(11(12)14)8-15(3,4)5/h8-9,11,13-14H,6-7H2,1-5H3/b10-8+/t9-,11-/m0/s1
InChIKeyZFMVSKIEMKTFJN-FBIFYRRTSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
CID 134964905
4-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
CID 22177670
(1S,2R,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)-3-methylenecyclopentanol
CID 67982857
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol
CID 123597762
[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol
CID 101332584
[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
CID 101332585
trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol
CID 131856950

Frequently Asked Questions

What is the IUPAC name of trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol?
The IUPAC name of trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol (CID 101332586) is trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol is CC1(C)C[C@@H](CO)/C(=C\[Si](C)(C)C)[C@@H]1O.
What is the InChIKey of trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol?
The InChIKey is ZFMVSKIEMKTFJN-FBIFYRRTSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2)6-9(7-13)10(11(12)14)8-15(3,4)5/h8-9,11,13-14H,6-7H2,1-5H3/b10-8+/t9-,11-/m0/s1.
What are the key properties of trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol?
trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol has a molecular weight of 228.41 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol is sourced from PubChem (CID 101332586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).