2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane

C20H24O2 — CID 175050333

IUPAC2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(c2ccc(C3CC3)c3ccccc23)OC1(C)C
InChIInChI=1S/C20H24O2/c1-19(2)20(3,4)22-18(21-19)17-12-11-14(13-9-10-13)15-7-5-6-8-16(15)17/h5-8,11-13,18H,9-10H2,1-4H3
InChIKeyZQQJQTSGTYEMTL-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.32
Rot. Bonds2

About 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane

2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane (PubChem CID 175050333) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane
PubChem CID175050333
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(c2ccc(C3CC3)c3ccccc23)OC1(C)C
InChIInChI=1S/C20H24O2/c1-19(2)20(3,4)22-18(21-19)17-12-11-14(13-9-10-13)15-7-5-6-8-16(15)17/h5-8,11-13,18H,9-10H2,1-4H3
InChIKeyZQQJQTSGTYEMTL-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane?
The IUPAC name of 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane (CID 175050333) is 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane?
The canonical SMILES for 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane is CC1(C)OC(c2ccc(C3CC3)c3ccccc23)OC1(C)C.
What is the InChIKey of 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane?
The InChIKey is ZQQJQTSGTYEMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-19(2)20(3,4)22-18(21-19)17-12-11-14(13-9-10-13)15-7-5-6-8-16(15)17/h5-8,11-13,18H,9-10H2,1-4H3.
What are the key properties of 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane?
2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane has a molecular weight of 296.41 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylnaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 175050333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).