cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one

C15H28O2Si — CID 155928143

IUPACcis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one
SMILESC/C=C\[C@H]1CC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-12-11-13(16)9-10-14(12)17-18(5,6)15(2,3)4/h7-8,12,14H,9-11H2,1-6H3/b8-7-/t12-,14-/m0/s1
InChIKeyVNTRNKMCORXMTE-RSDJLKMVSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds3

About cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one

cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one (PubChem CID 155928143) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one.

Molecular Properties

Compound Namecis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one
PubChem CID155928143
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Namecis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one
SMILESC/C=C\[C@H]1CC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-12-11-13(16)9-10-14(12)17-18(5,6)15(2,3)4/h7-8,12,14H,9-11H2,1-6H3/b8-7-/t12-,14-/m0/s1
InChIKeyVNTRNKMCORXMTE-RSDJLKMVSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
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 cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one?
The IUPAC name of cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one (CID 155928143) is cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one.
What is the SMILES notation for cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one?
The canonical SMILES for cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one is C/C=C\[C@H]1CC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one?
The InChIKey is VNTRNKMCORXMTE-RSDJLKMVSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-8-12-11-13(16)9-10-14(12)17-18(5,6)15(2,3)4/h7-8,12,14H,9-11H2,1-6H3/b8-7-/t12-,14-/m0/s1.
What are the key properties of cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one?
cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(Z)-prop-1-enyl]cyclohexan-1-one is sourced from PubChem (CID 155928143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).