1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one

C10H16O3 — CID 101424996

IUPAC1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
SMILESC=C[C@H]1OC(C)(C)O[C@H]1C(=O)CC
InChIInChI=1S/C10H16O3/c1-5-7(11)9-8(6-2)12-10(3,4)13-9/h6,8-9H,2,5H2,1,3-4H3/t8-,9+/m1/s1
InChIKeyGIVOTDXJTVHERI-BDAKNGLRSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds3

About 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one

1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one (PubChem CID 101424996) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
PubChem CID101424996
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
SMILESC=C[C@H]1OC(C)(C)O[C@H]1C(=O)CC
InChIInChI=1S/C10H16O3/c1-5-7(11)9-8(6-2)12-10(3,4)13-9/h6,8-9H,2,5H2,1,3-4H3/t8-,9+/m1/s1
InChIKeyGIVOTDXJTVHERI-BDAKNGLRSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one with MolForge

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Related Compounds

Vlysfroiivaenj-rnfrbkrxsa-
CID 13846565
(4R,5R)-2,2-Dimethyl-5-vinyl-1,3-dioxolane-4-carbaldehyde
CID 10103376
(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14188253
(3aS,7aS)-2,2-dimethyl-5,7a-dihydro-3aH-1,3-benzodioxol-4-one
CID 130765230
methyl (4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134860171
(s)-1-(2,2-Dimethyl-1,3-dioxolan-4-yl)pent-4-en-1-one
CID 176452963
1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone
CID 10889535
Methyl 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11745333
5-Ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14188252
(5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 57620271
(4S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 57620275
(5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58451170

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one?
The IUPAC name of 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one (CID 101424996) is 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one.
What is the SMILES notation for 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one?
The canonical SMILES for 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one is C=C[C@H]1OC(C)(C)O[C@H]1C(=O)CC.
What is the InChIKey of 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one?
The InChIKey is GIVOTDXJTVHERI-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-7(11)9-8(6-2)12-10(3,4)13-9/h6,8-9H,2,5H2,1,3-4H3/t8-,9+/m1/s1.
What are the key properties of 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one?
1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one is sourced from PubChem (CID 101424996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).