(2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one

C15H28O2Si — CID 102122535

IUPAC(2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one
SMILESC=C(C)[C@H]1CC(=O)[C@@](C)(CO[Si](C)(C)C)[C@H](C)C1
InChIInChI=1S/C15H28O2Si/c1-11(2)13-8-12(3)15(4,14(16)9-13)10-17-18(5,6)7/h12-13H,1,8-10H2,2-7H3/t12-,13-,15+/m1/s1
InChIKeyFERNZRJPHXHCJY-NFAWXSAZSA-N
MW268.47 g/mol
LogP4.04
Rot. Bonds4

About (2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one

(2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one (PubChem CID 102122535) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one
PubChem CID102122535
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one
SMILESC=C(C)[C@H]1CC(=O)[C@@](C)(CO[Si](C)(C)C)[C@H](C)C1
InChIInChI=1S/C15H28O2Si/c1-11(2)13-8-12(3)15(4,14(16)9-13)10-17-18(5,6)7/h12-13H,1,8-10H2,2-7H3/t12-,13-,15+/m1/s1
InChIKeyFERNZRJPHXHCJY-NFAWXSAZSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.04
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,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one?
The IUPAC name of (2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one (CID 102122535) is (2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one.
What is the SMILES notation for (2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one?
The canonical SMILES for (2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one is C=C(C)[C@H]1CC(=O)[C@@](C)(CO[Si](C)(C)C)[C@H](C)C1.
What is the InChIKey of (2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one?
The InChIKey is FERNZRJPHXHCJY-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-11(2)13-8-12(3)15(4,14(16)9-13)10-17-18(5,6)7/h12-13H,1,8-10H2,2-7H3/t12-,13-,15+/m1/s1.
What are the key properties of (2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one?
(2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2,3-dimethyl-5-prop-1-en-2-yl-2-(trimethylsilyloxymethyl)cyclohexan-1-one is sourced from PubChem (CID 102122535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).