1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene

C33H40O2 — CID 142281111

IUPAC1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene
SMILESC=CCc1cc(CC=C)cc(C(c2cc(CC)cc(CC)c2)c2cc(COC)cc(COC)c2)c1
InChIInChI=1S/C33H40O2/c1-7-11-26-14-27(12-8-2)19-31(18-26)33(30-16-24(9-3)13-25(10-4)17-30)32-20-28(22-34-5)15-29(21-32)23-35-6/h7-8,13-21,33H,1-2,9-12,22-23H2,3-6H3
InChIKeyODKMXTZGKNFLIS-UHFFFAOYSA-N
MW468.68 g/mol
LogP7.74
Rot. Bonds13

About 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene

1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene (PubChem CID 142281111) has the molecular formula C33H40O2 and a molecular weight of 468.68 g/mol. Its IUPAC name is 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene.

Molecular Properties

Compound Name1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene
PubChem CID142281111
Molecular FormulaC33H40O2
Molecular Weight468.68 g/mol
Exact Mass468.30
IUPAC Name1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene
SMILESC=CCc1cc(CC=C)cc(C(c2cc(CC)cc(CC)c2)c2cc(COC)cc(COC)c2)c1
InChIInChI=1S/C33H40O2/c1-7-11-26-14-27(12-8-2)19-31(18-26)33(30-16-24(9-3)13-25(10-4)17-30)32-20-28(22-34-5)15-29(21-32)23-35-6/h7-8,13-21,33H,1-2,9-12,22-23H2,3-6H3
InChIKeyODKMXTZGKNFLIS-UHFFFAOYSA-N
XLogP7.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.68
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene?
The IUPAC name of 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene (CID 142281111) is 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene.
What is the SMILES notation for 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene?
The canonical SMILES for 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene is C=CCc1cc(CC=C)cc(C(c2cc(CC)cc(CC)c2)c2cc(COC)cc(COC)c2)c1.
What is the InChIKey of 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene?
The InChIKey is ODKMXTZGKNFLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O2/c1-7-11-26-14-27(12-8-2)19-31(18-26)33(30-16-24(9-3)13-25(10-4)17-30)32-20-28(22-34-5)15-29(21-32)23-35-6/h7-8,13-21,33H,1-2,9-12,22-23H2,3-6H3.
What are the key properties of 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene?
1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene has a molecular weight of 468.68 g/mol, XLogP of 7.74, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(methoxymethyl)phenyl]-[3,5-bis(prop-2-enyl)phenyl]methyl]-3,5-diethylbenzene is sourced from PubChem (CID 142281111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).