(1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one

C14H24O4Si — CID 10968055

IUPAC(1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one
SMILESCC/C=C(\C)C(O[Si](C)(C)C)[C@]12O[C@H]1[C@H](C)OC2=O
InChIInChI=1S/C14H24O4Si/c1-7-8-9(2)11(18-19(4,5)6)14-12(17-14)10(3)16-13(14)15/h8,10-12H,7H2,1-6H3/b9-8+/t10-,11?,12-,14-/m0/s1
InChIKeyIXHTVYODLJQBPN-WYWLQHDISA-N
MW284.43 g/mol
LogP2.65
Rot. Bonds5

About (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one

(1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one (PubChem CID 10968055) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one
PubChem CID10968055
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name(1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one
SMILESCC/C=C(\C)C(O[Si](C)(C)C)[C@]12O[C@H]1[C@H](C)OC2=O
InChIInChI=1S/C14H24O4Si/c1-7-8-9(2)11(18-19(4,5)6)14-12(17-14)10(3)16-13(14)15/h8,10-12H,7H2,1-6H3/b9-8+/t10-,11?,12-,14-/m0/s1
InChIKeyIXHTVYODLJQBPN-WYWLQHDISA-N
XLogP2.65
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one (CID 10968055) is (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one is CC/C=C(\C)C(O[Si](C)(C)C)[C@]12O[C@H]1[C@H](C)OC2=O.
What is the InChIKey of (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one?
The InChIKey is IXHTVYODLJQBPN-WYWLQHDISA-N. The full InChI is InChI=1S/C14H24O4Si/c1-7-8-9(2)11(18-19(4,5)6)14-12(17-14)10(3)16-13(14)15/h8,10-12H,7H2,1-6H3/b9-8+/t10-,11?,12-,14-/m0/s1.
What are the key properties of (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one?
(1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one has a molecular weight of 284.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-4-methyl-1-[(E)-2-methyl-1-trimethylsilyloxypent-2-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 10968055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).