(3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one

C19H38O2Si — CID 134848006

IUPAC(3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one
SMILESC=CCC[C@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)=O
InChIInChI=1S/C19H38O2Si/c1-10-11-12-19(9,18(8)20)13-14-21-22(15(2)3,16(4)5)17(6)7/h10,15-17H,1,11-14H2,2-9H3/t19-/m1/s1
InChIKeyIKYVDWDYSVREBL-LJQANCHMSA-N
MW326.60 g/mol
LogP6.13
Rot. Bonds11

About (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one

(3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one (PubChem CID 134848006) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one
PubChem CID134848006
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one
SMILESC=CCC[C@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)=O
InChIInChI=1S/C19H38O2Si/c1-10-11-12-19(9,18(8)20)13-14-21-22(15(2)3,16(4)5)17(6)7/h10,15-17H,1,11-14H2,2-9H3/t19-/m1/s1
InChIKeyIKYVDWDYSVREBL-LJQANCHMSA-N
XLogP6.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.13
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 (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one?
The IUPAC name of (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one (CID 134848006) is (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one.
What is the SMILES notation for (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one?
The canonical SMILES for (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one is C=CCC[C@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)=O.
What is the InChIKey of (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one?
The InChIKey is IKYVDWDYSVREBL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-10-11-12-19(9,18(8)20)13-14-21-22(15(2)3,16(4)5)17(6)7/h10,15-17H,1,11-14H2,2-9H3/t19-/m1/s1.
What are the key properties of (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one?
(3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one has a molecular weight of 326.60 g/mol, XLogP of 6.13, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-[2-tri(propan-2-yl)silyloxyethyl]hept-6-en-2-one is sourced from PubChem (CID 134848006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).