1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one

C15H26O4 — CID 59771928

IUPAC1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one
SMILESCC1(C)OC(C(=O)C(C)(C)C)[C@@H](C(=O)C(C)(C)C)O1
InChIInChI=1S/C15H26O4/c1-13(2,3)11(16)9-10(12(17)14(4,5)6)19-15(7,8)18-9/h9-10H,1-8H3/t9-,10?/m0/s1
InChIKeyCAVZFHGIIOVPPL-RGURZIINSA-N
MW270.37 g/mol
LogP2.74
Rot. Bonds2

About 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one

1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 59771928) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one
PubChem CID59771928
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one
SMILESCC1(C)OC(C(=O)C(C)(C)C)[C@@H](C(=O)C(C)(C)C)O1
InChIInChI=1S/C15H26O4/c1-13(2,3)11(16)9-10(12(17)14(4,5)6)19-15(7,8)18-9/h9-10H,1-8H3/t9-,10?/m0/s1
InChIKeyCAVZFHGIIOVPPL-RGURZIINSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one (CID 59771928) is 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one is CC1(C)OC(C(=O)C(C)(C)C)[C@@H](C(=O)C(C)(C)C)O1.
What is the InChIKey of 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CAVZFHGIIOVPPL-RGURZIINSA-N. The full InChI is InChI=1S/C15H26O4/c1-13(2,3)11(16)9-10(12(17)14(4,5)6)19-15(7,8)18-9/h9-10H,1-8H3/t9-,10?/m0/s1.
What are the key properties of 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one?
1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 270.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-(2,2-dimethylpropanoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59771928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).