1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one

C14H26O2Si — CID 10800968

IUPAC1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one
SMILESC=CCC(=O)[C@@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-13(15)12-9-11(12)10-16-17(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m0/s1
InChIKeyXNTQDLICYKWYMO-NWDGAFQWSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds6

About 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one

1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one (PubChem CID 10800968) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one
PubChem CID10800968
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one
SMILESC=CCC(=O)[C@@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-13(15)12-9-11(12)10-16-17(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m0/s1
InChIKeyXNTQDLICYKWYMO-NWDGAFQWSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one?
The IUPAC name of 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one (CID 10800968) is 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one.
What is the SMILES notation for 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one?
The canonical SMILES for 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one is C=CCC(=O)[C@@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one?
The InChIKey is XNTQDLICYKWYMO-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-8-13(15)12-9-11(12)10-16-17(5,6)14(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one?
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-one is sourced from PubChem (CID 10800968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).