5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole

C18H24O4 — CID 123802653

IUPAC5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
SMILESC=CC1(CCOCc2ccccc2)CC2OC(C)(C)OC2O1
InChIInChI=1S/C18H24O4/c1-4-18(10-11-19-13-14-8-6-5-7-9-14)12-15-16(22-18)21-17(2,3)20-15/h4-9,15-16H,1,10-13H2,2-3H3
InChIKeyDCEPQDRKWUNTCD-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.42
Rot. Bonds6

About 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole

5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole (PubChem CID 123802653) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
PubChem CID123802653
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
SMILESC=CC1(CCOCc2ccccc2)CC2OC(C)(C)OC2O1
InChIInChI=1S/C18H24O4/c1-4-18(10-11-19-13-14-8-6-5-7-9-14)12-15-16(22-18)21-17(2,3)20-15/h4-9,15-16H,1,10-13H2,2-3H3
InChIKeyDCEPQDRKWUNTCD-UHFFFAOYSA-N
XLogP3.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole with MolForge

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Related Compounds

(3aR,6S,6aR)-5-ethenyl-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 66892493
[(4R,5S)-2,2,5-trimethyl-5-(3-phenylmethoxypropyl)-1,3-dioxolan-4-yl]methanol
CID 10968408
(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 124677269
(3aR,5S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 69191047
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propane-1,2-diol
CID 10496214
(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 134852419
[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(2-phenylmethoxyethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate
CID 10044796
2,2-dimethyl-5-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;2-methylpropane;phenylmethanol
CID 142827459
3-[(2R)-4,4-dibromo-2-(2-phenylmethoxyethyl)but-3-enyl]-2,2-dimethyloxirane
CID 101387059
(3aS,5R,6S)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 59426783
2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 142703154

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The IUPAC name of 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole (CID 123802653) is 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole.
What is the SMILES notation for 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The canonical SMILES for 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole is C=CC1(CCOCc2ccccc2)CC2OC(C)(C)OC2O1.
What is the InChIKey of 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The InChIKey is DCEPQDRKWUNTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-4-18(10-11-19-13-14-8-6-5-7-9-14)12-15-16(22-18)21-17(2,3)20-15/h4-9,15-16H,1,10-13H2,2-3H3.
What are the key properties of 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole has a molecular weight of 304.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole is sourced from PubChem (CID 123802653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).