4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde

C24H28O3 — CID 89073128

IUPAC4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde
SMILESCC1(C)CCC(C)(C)c2cc(C3(c4ccc(C=O)cc4)OCCO3)ccc21
InChIInChI=1S/C24H28O3/c1-22(2)11-12-23(3,4)21-15-19(9-10-20(21)22)24(26-13-14-27-24)18-7-5-17(16-25)6-8-18/h5-10,15-16H,11-14H2,1-4H3
InChIKeySUBABPWGUKLPRB-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.10
Rot. Bonds3

About 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde

4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde (PubChem CID 89073128) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde
PubChem CID89073128
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde
SMILESCC1(C)CCC(C)(C)c2cc(C3(c4ccc(C=O)cc4)OCCO3)ccc21
InChIInChI=1S/C24H28O3/c1-22(2)11-12-23(3,4)21-15-19(9-10-20(21)22)24(26-13-14-27-24)18-7-5-17(16-25)6-8-18/h5-10,15-16H,11-14H2,1-4H3
InChIKeySUBABPWGUKLPRB-UHFFFAOYSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde?
The IUPAC name of 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde (CID 89073128) is 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde.
What is the SMILES notation for 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde?
The canonical SMILES for 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde is CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C=O)cc4)OCCO3)ccc21.
What is the InChIKey of 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde?
The InChIKey is SUBABPWGUKLPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-22(2)11-12-23(3,4)21-15-19(9-10-20(21)22)24(26-13-14-27-24)18-7-5-17(16-25)6-8-18/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde?
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde has a molecular weight of 364.49 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde is sourced from PubChem (CID 89073128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).