2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole

C19H28O2 — CID 141201650

IUPAC2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole
SMILESCC1=COC(C)(C2=CC=C3C(C2)C(C)(C)CCC3(C)C)O1
InChIInChI=1S/C19H28O2/c1-13-12-20-19(6,21-13)14-7-8-15-16(11-14)18(4,5)10-9-17(15,2)3/h7-8,12,16H,9-11H2,1-6H3
InChIKeyQVBPKSDTTKAFBN-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.33
Rot. Bonds1

About 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole

2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole (PubChem CID 141201650) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole.

Molecular Properties

Compound Name2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole
PubChem CID141201650
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole
SMILESCC1=COC(C)(C2=CC=C3C(C2)C(C)(C)CCC3(C)C)O1
InChIInChI=1S/C19H28O2/c1-13-12-20-19(6,21-13)14-7-8-15-16(11-14)18(4,5)10-9-17(15,2)3/h7-8,12,16H,9-11H2,1-6H3
InChIKeyQVBPKSDTTKAFBN-UHFFFAOYSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole with MolForge

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Related Compounds

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CID 163027643
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[(8S)-8-[(3E,5E)-4,6-dimethoxyhexa-1,3,5-trien-2-yl]-4a-methyl-5-propan-2-yl-6,7,8,8a-tetrahydro-5H-benzo[f][1,3]benzodioxol-6-yl]methyl formate
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole?
The IUPAC name of 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole (CID 141201650) is 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole.
What is the SMILES notation for 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole?
The canonical SMILES for 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole is CC1=COC(C)(C2=CC=C3C(C2)C(C)(C)CCC3(C)C)O1.
What is the InChIKey of 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole?
The InChIKey is QVBPKSDTTKAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-13-12-20-19(6,21-13)14-7-8-15-16(11-14)18(4,5)10-9-17(15,2)3/h7-8,12,16H,9-11H2,1-6H3.
What are the key properties of 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole?
2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole has a molecular weight of 288.43 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole is sourced from PubChem (CID 141201650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).