acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine

C27H39NO2 — CID 142215384

IUPACacetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine
SMILESCC.CC=O.[H]/N=C/c1ccc(OC)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C23H29NO.C2H4O.C2H6/c1-15-11-19-20(23(4,5)10-9-22(19,2)3)13-17(15)18-12-16(14-24)7-8-21(18)25-6;1-2-3;1-2/h7-8,11-14,24H,9-10H2,1-6H3;2H,1H3;1-2H3/b24-14+;;
InChIKeyGNSFGKRFKKJUEH-IXADMPAPSA-N
MW409.61 g/mol
LogP7.25
Rot. Bonds3

About acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine

acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine (PubChem CID 142215384) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine.

Molecular Properties

Compound Nameacetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine
PubChem CID142215384
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC Nameacetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine
SMILESCC.CC=O.[H]/N=C/c1ccc(OC)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C23H29NO.C2H4O.C2H6/c1-15-11-19-20(23(4,5)10-9-22(19,2)3)13-17(15)18-12-16(14-24)7-8-21(18)25-6;1-2-3;1-2/h7-8,11-14,24H,9-10H2,1-6H3;2H,1H3;1-2H3/b24-14+;;
InChIKeyGNSFGKRFKKJUEH-IXADMPAPSA-N
XLogP7.25
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 90715574
5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69462356
4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 91108589
3-hydroxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 86587842
2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 141035604
[5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine
CID 142215401
(5Z)-5-[[3,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 22268310
5-methanimidoyl-2-methoxyphenol
CID 23221891
4-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,5-dione
CID 66648552
(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2,4-dione
CID 10196390
5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol
CID 59065283
(5E)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69462768

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine?
The IUPAC name of acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine (CID 142215384) is acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine.
What is the SMILES notation for acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine?
The canonical SMILES for acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine is CC.CC=O.[H]/N=C/c1ccc(OC)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1.
What is the InChIKey of acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine?
The InChIKey is GNSFGKRFKKJUEH-IXADMPAPSA-N. The full InChI is InChI=1S/C23H29NO.C2H4O.C2H6/c1-15-11-19-20(23(4,5)10-9-22(19,2)3)13-17(15)18-12-16(14-24)7-8-21(18)25-6;1-2-3;1-2/h7-8,11-14,24H,9-10H2,1-6H3;2H,1H3;1-2H3/b24-14+;;.
What are the key properties of acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine?
acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine has a molecular weight of 409.61 g/mol, XLogP of 7.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine is sourced from PubChem (CID 142215384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).