[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol

C16H32O2Si — CID 101332584

IUPAC[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol
SMILESC/C=C1/[C@H](CO)CC(C)(C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-13-12(11-17)10-16(5,6)14(13)18-19(7,8)15(2,3)4/h9,12,14,17H,10-11H2,1-8H3/b13-9-/t12-,14-/m0/s1
InChIKeyHXIMNZPBWQFVFY-LOKCTGBGSA-N
MW284.52 g/mol
LogP4.36
Rot. Bonds3

About [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol

[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol (PubChem CID 101332584) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol
PubChem CID101332584
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol
SMILESC/C=C1/[C@H](CO)CC(C)(C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-9-13-12(11-17)10-16(5,6)14(13)18-19(7,8)15(2,3)4/h9,12,14,17H,10-11H2,1-8H3/b13-9-/t12-,14-/m0/s1
InChIKeyHXIMNZPBWQFVFY-LOKCTGBGSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol with MolForge

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Related Compounds

(1R,6R,8aS)-3,3,6-trimethyl-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,8a-tetrahydro-1H-azulen-1-ol
CID 23643475
trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol
CID 101332586
(6R,8aS)-3,3,6-trimethyl-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,8a-tetrahydro-1H-azulen-1-ol
CID 134840191
(5Z)-5-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
CID 134982969
3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol
CID 54049562
3-[(1S,2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-(hydroxymethyl)cyclopentyl]propan-1-ol
CID 54462187
(1R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,2,5-trimethylhex-4-en-3-yloxymethyl)cyclopentan-1-ol
CID 140923970
(S)-[(5S)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
CID 11080315
(1S,3R,4S,9S,14S)-14-[tert-butyl(dimethyl)silyl]oxy-3-methyltricyclo[7.4.1.01,5]tetradec-5-en-4-ol
CID 15923726
(4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol
CID 25233717
(1R,3aS,4R,8Z,9aS)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-methylidene-3,3a,4,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-4-ol
CID 53472951
(1S,3R,4S,9S,14R)-14-[tert-butyl(dimethyl)silyl]oxy-3-methyltricyclo[7.4.1.01,5]tetradec-5-en-4-ol
CID 99959892

Frequently Asked Questions

What is the IUPAC name of [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol?
The IUPAC name of [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol (CID 101332584) is [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol?
The canonical SMILES for [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol is C/C=C1/[C@H](CO)CC(C)(C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol?
The InChIKey is HXIMNZPBWQFVFY-LOKCTGBGSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-9-13-12(11-17)10-16(5,6)14(13)18-19(7,8)15(2,3)4/h9,12,14,17H,10-11H2,1-8H3/b13-9-/t12-,14-/m0/s1.
What are the key properties of [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol?
[(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol has a molecular weight of 284.52 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,4-dimethylcyclopentyl]methanol is sourced from PubChem (CID 101332584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).