2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane

C21H32O2 — CID 19912837

IUPAC2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane
SMILESCc1cc2c(cc1C1(C)OCC(C)O1)C(C)(C)CC(C)C2(C)C
InChIInChI=1S/C21H32O2/c1-13-9-18-17(19(4,5)11-14(2)20(18,6)7)10-16(13)21(8)22-12-15(3)23-21/h9-10,14-15H,11-12H2,1-8H3
InChIKeyOKMNDOGDSXEHMU-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.20
Rot. Bonds1

About 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane

2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane (PubChem CID 19912837) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane
PubChem CID19912837
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Name2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane
SMILESCc1cc2c(cc1C1(C)OCC(C)O1)C(C)(C)CC(C)C2(C)C
InChIInChI=1S/C21H32O2/c1-13-9-18-17(19(4,5)11-14(2)20(18,6)7)10-16(13)21(8)22-12-15(3)23-21/h9-10,14-15H,11-12H2,1-8H3
InChIKeyOKMNDOGDSXEHMU-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane?
The IUPAC name of 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane (CID 19912837) is 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane.
What is the SMILES notation for 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane?
The canonical SMILES for 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane is Cc1cc2c(cc1C1(C)OCC(C)O1)C(C)(C)CC(C)C2(C)C.
What is the InChIKey of 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane?
The InChIKey is OKMNDOGDSXEHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2/c1-13-9-18-17(19(4,5)11-14(2)20(18,6)7)10-16(13)21(8)22-12-15(3)23-21/h9-10,14-15H,11-12H2,1-8H3.
What are the key properties of 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane?
2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane has a molecular weight of 316.49 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane is sourced from PubChem (CID 19912837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).