(2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one

C15H28O2Si — CID 58012760

IUPAC(2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one
SMILESC=CC[Si](O[C@@H]1CCCCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-6-11-18(12(2)3,13(4)5)17-15-10-8-7-9-14(15)16/h6,12-13,15H,1,7-11H2,2-5H3/t15-/m1/s1
InChIKeyGARUOPYCORRVIV-OAHLLOKOSA-N
MW268.47 g/mol
LogP4.47
Rot. Bonds6

About (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one

(2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one (PubChem CID 58012760) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one
PubChem CID58012760
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one
SMILESC=CC[Si](O[C@@H]1CCCCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-6-11-18(12(2)3,13(4)5)17-15-10-8-7-9-14(15)16/h6,12-13,15H,1,7-11H2,2-5H3/t15-/m1/s1
InChIKeyGARUOPYCORRVIV-OAHLLOKOSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.47
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 (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one?
The IUPAC name of (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one (CID 58012760) is (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one.
What is the SMILES notation for (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one?
The canonical SMILES for (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one is C=CC[Si](O[C@@H]1CCCCC1=O)(C(C)C)C(C)C.
What is the InChIKey of (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one?
The InChIKey is GARUOPYCORRVIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-6-11-18(12(2)3,13(4)5)17-15-10-8-7-9-14(15)16/h6,12-13,15H,1,7-11H2,2-5H3/t15-/m1/s1.
What are the key properties of (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one?
(2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[di(propan-2-yl)-prop-2-enylsilyl]oxycyclohexan-1-one is sourced from PubChem (CID 58012760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).