(4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane

C9H14O3 — CID 11081647

IUPAC(4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H]([C@@H]2C=CCO2)O1
InChIInChI=1S/C9H14O3/c1-9(2)11-6-8(12-9)7-4-3-5-10-7/h3-4,7-8H,5-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyFVTHCHOJZDIVLT-JGVFFNPUSA-N
MW170.21 g/mol
LogP1.09
Rot. Bonds1

About (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane

(4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11081647) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11081647
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H]([C@@H]2C=CCO2)O1
InChIInChI=1S/C9H14O3/c1-9(2)11-6-8(12-9)7-4-3-5-10-7/h3-4,7-8H,5-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyFVTHCHOJZDIVLT-JGVFFNPUSA-N
XLogP1.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane (CID 11081647) is (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H]([C@@H]2C=CCO2)O1.
What is the InChIKey of (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is FVTHCHOJZDIVLT-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(2)11-6-8(12-9)7-4-3-5-10-7/h3-4,7-8H,5-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 170.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11081647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).