trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol

C17H28OSi — CID 101456329

IUPACtrans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol
SMILESC=C=C[C@@]1(O)CCC[C@@H]1CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28OSi/c1-7-12-17(18)13-8-10-15(17)11-9-14-19(5,6)16(2,3)4/h12,15,18H,1,8,10-11,13H2,2-6H3/t15-,17-/m1/s1
InChIKeyRZPCTFMVBIIVKA-NVXWUHKLSA-N
MW276.50 g/mol
LogP4.30
Rot. Bonds2

About trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol

trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol (PubChem CID 101456329) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol
PubChem CID101456329
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Nametrans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol
SMILESC=C=C[C@@]1(O)CCC[C@@H]1CC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28OSi/c1-7-12-17(18)13-8-10-15(17)11-9-14-19(5,6)16(2,3)4/h12,15,18H,1,8,10-11,13H2,2-6H3/t15-,17-/m1/s1
InChIKeyRZPCTFMVBIIVKA-NVXWUHKLSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol (CID 101456329) is trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol is C=C=C[C@@]1(O)CCC[C@@H]1CC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol?
The InChIKey is RZPCTFMVBIIVKA-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H28OSi/c1-7-12-17(18)13-8-10-15(17)11-9-14-19(5,6)16(2,3)4/h12,15,18H,1,8,10-11,13H2,2-6H3/t15-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol?
trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol has a molecular weight of 276.50 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]prop-2-ynyl]-1-propa-1,2-dienylcyclopentan-1-ol is sourced from PubChem (CID 101456329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).