trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol

C15H30O2Si — CID 10516234

IUPACtrans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1CCC[C@@]1(C)O
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(5,6)17-12-8-10-13-9-7-11-15(13,4)16/h8,10,13,16H,7,9,11-12H2,1-6H3/b10-8+/t13-,15+/m0/s1
InChIKeyAHUBIKBDWQJZNW-XMTZHVTGSA-N
MW270.49 g/mol
LogP4.12
Rot. Bonds4

About trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol

trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol (PubChem CID 10516234) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol
PubChem CID10516234
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametrans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1CCC[C@@]1(C)O
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(5,6)17-12-8-10-13-9-7-11-15(13,4)16/h8,10,13,16H,7,9,11-12H2,1-6H3/b10-8+/t13-,15+/m0/s1
InChIKeyAHUBIKBDWQJZNW-XMTZHVTGSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.12
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'}

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Related Compounds

trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol
CID 10487118
trans-(1S,2R)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol
CID 15266453
(3aR,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3,6,6a-tetrahydro-1H-pentalen-3a-ol
CID 138968864
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-ol
CID 140749946
(3R,3aS,9aR)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1,2,3,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3a-ol
CID 10759482
(3R,3aS,6aR)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ol
CID 10780292
(3R,3aS,8aR)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol
CID 10782257
cis-(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-(2-methylpropyl)cyclopentan-1-ol
CID 10805101
(E,3R)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol
CID 71619637
(E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol
CID 71619638
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-prop-2-enylcyclopent-2-en-1-ol
CID 101354197
(1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol
CID 177398534

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol (CID 10516234) is trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol is CC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1CCC[C@@]1(C)O.
What is the InChIKey of trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol?
The InChIKey is AHUBIKBDWQJZNW-XMTZHVTGSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-14(2,3)18(5,6)17-12-8-10-13-9-7-11-15(13,4)16/h8,10,13,16H,7,9,11-12H2,1-6H3/b10-8+/t13-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol?
trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol has a molecular weight of 270.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 10516234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).