5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol

C16H22O5 — CID 12849938

IUPAC5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILESCC1(C)OCC(COc2cccc3c2CC(O)C(O)C3)O1
InChIInChI=1S/C16H22O5/c1-16(2)20-9-11(21-16)8-19-15-5-3-4-10-6-13(17)14(18)7-12(10)15/h3-5,11,13-14,17-18H,6-9H2,1-2H3
InChIKeyCOLCVULWHXEIIS-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.04
Rot. Bonds3

About 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol

5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol (PubChem CID 12849938) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
PubChem CID12849938
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILESCC1(C)OCC(COc2cccc3c2CC(O)C(O)C3)O1
InChIInChI=1S/C16H22O5/c1-16(2)20-9-11(21-16)8-19-15-5-3-4-10-6-13(17)14(18)7-12(10)15/h3-5,11,13-14,17-18H,6-9H2,1-2H3
InChIKeyCOLCVULWHXEIIS-UHFFFAOYSA-N
XLogP1.04
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol (CID 12849938) is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol is CC1(C)OCC(COc2cccc3c2CC(O)C(O)C3)O1.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol?
The InChIKey is COLCVULWHXEIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-16(2)20-9-11(21-16)8-19-15-5-3-4-10-6-13(17)14(18)7-12(10)15/h3-5,11,13-14,17-18H,6-9H2,1-2H3.
What are the key properties of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol?
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol has a molecular weight of 294.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol is sourced from PubChem (CID 12849938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).