(5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one

C19H34O2Si — CID 71492283

IUPAC(5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one
SMILESC=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CC=C(C)C(=O)C1
InChIInChI=1S/C19H34O2Si/c1-13(2)22(14(3)4,15(5)6)21-12-17(8)18-10-9-16(7)19(20)11-18/h9,13-15,18H,8,10-12H2,1-7H3/t18-/m1/s1
InChIKeyIHCCDMWIYPROLZ-GOSISDBHSA-N
MW322.57 g/mol
LogP5.66
Rot. Bonds7

About (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one

(5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one (PubChem CID 71492283) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one
PubChem CID71492283
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name(5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one
SMILESC=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CC=C(C)C(=O)C1
InChIInChI=1S/C19H34O2Si/c1-13(2)22(14(3)4,15(5)6)21-12-17(8)18-10-9-16(7)19(20)11-18/h9,13-15,18H,8,10-12H2,1-7H3/t18-/m1/s1
InChIKeyIHCCDMWIYPROLZ-GOSISDBHSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.66
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 (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one?
The IUPAC name of (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one (CID 71492283) is (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one is C=C(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CC=C(C)C(=O)C1.
What is the InChIKey of (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one?
The InChIKey is IHCCDMWIYPROLZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-13(2)22(14(3)4,15(5)6)21-12-17(8)18-10-9-16(7)19(20)11-18/h9,13-15,18H,8,10-12H2,1-7H3/t18-/m1/s1.
What are the key properties of (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one?
(5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one has a molecular weight of 322.57 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 71492283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).